3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide
TL;DR: 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide (CAS 3805-10-5) is a chemical compound with molecular formula C7H13N3O and molecular weight 155.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethyl-4H-pyrazole-1-carboxamide
Also Known As: Scholtz's base, 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide, 3,5,5-trimethyl-4H-pyrazole-1-carboxamide, 2-Pyrazoline-1-carboxamide,5,5-trimethyl-, 2-Pyrazoline-1-carboxamide, 3,5,5-trimethyl-
| Molecular Formula | C7H13N3O |
|---|---|
| Molecular Weight | 155.11 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.10587 |
| Heavy Atoms | 11 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 3805-10-5 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)C)C(=O)N |
| InChIKey | CXBWZJMJUREABJ-UHFFFAOYSA-N |
Product Overview
3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide (CAS 3805-10-5), with molecular formula C7H13N3O and molecular weight 155.11 g/mol. IUPAC: 3,5,5-trimethyl-4H-pyrazole-1-carboxamide.
Chemical Property Profile of 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide
Property Insights of 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide
The XLogP value of -0.4 indicates that 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.7 Ų, 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide has 1 hydrogen bond donor(s) and 2 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 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide?
The CAS number of 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide is 3805-10-5.
What is the molecular formula of 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide?
The molecular formula of 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide is C7H13N3O.
What is the molecular weight of 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide?
The molecular weight of 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide is 155.11 g/mol.
Where can I buy 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide?
You can request a quote for 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,5,5-Trimethyl-4,5-dihydro-1H-pyrazole-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.