![1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea structure](/static/products/1005/1005631-95-7.webp)
1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
TL;DR: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea (CAS 1005631-95-7) is a chemical compound with molecular formula C21H29N5OS and molecular weight 399.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
Also Known As: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea, 3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea, N-[3,5-DIMETHYL-1-(2-METHYLBENZYL)-1H-PYRAZOL-4-YL]-N'-[3-(2-OXO-1-PYRROLIDINYL)PROPYL]THIOUREA
| Molecular Formula | C21H29N5OS |
|---|---|
| Molecular Weight | 399.21 g/mol |
| LogP | 3.15556 |
| Topological Polar Surface Area | 62.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.2093 |
| Heavy Atoms | 28 |
| Complexity | 860.476 |
Chemical Identifiers
| CAS Number | 1005631-95-7 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C(=C(C(=N2)C)NC(=S)NCCCN3CCCC3=O)C |
Product Overview
1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea (CAS 1005631-95-7), with molecular formula C21H29N5OS and molecular weight 399.21 g/mol. IUPAC: 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea.
Chemical Property Profile of 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
Property Insights of 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
The XLogP value of 3.15556 indicates that 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea. Following Lipinski's Rule of Five, 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea?
The CAS number of 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea is 1005631-95-7.
What is the molecular formula of 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea?
The molecular formula of 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea is C21H29N5OS.
What is the molecular weight of 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea?
The molecular weight of 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea is 399.21 g/mol.
Where can I buy 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea?
You can request a quote for 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.