3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate
TL;DR: 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate (CAS 10116-07-1) is a chemical compound with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methylcarbamate
Also Known As: 4-(Methylmethoxycarbonylamino)antipyrine, 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate, J3.308.154E, 5-Oxo-N,2,3-trimethyl-3-pyrazoline-4-carbamic acid methyl ester hydrate, Methyl N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-N-methylcarbamate
| Molecular Formula | C14H17N3O3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.12698 |
| Heavy Atoms | 20 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 10116-07-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=O)OC |
| InChIKey | BPVKVZRUFQGGRO-UHFFFAOYSA-N |
Product Overview
3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate (CAS 10116-07-1), with molecular formula C14H17N3O3 and molecular weight 275.13 g/mol. IUPAC: methyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-methylcarbamate.
Chemical Property Profile of 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate
Property Insights of 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate. With a topological polar surface area (TPSA) of 53.1 Ų, 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate has 0 hydrogen bond donor(s) and 4 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-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate?
The CAS number of 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate is 10116-07-1.
What is the molecular formula of 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate?
The molecular formula of 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate is C14H17N3O3.
What is the molecular weight of 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate?
The molecular weight of 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate is 275.13 g/mol.
Where can I buy 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate?
You can request a quote for 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyrazoline-4-carbamic acid, 5-oxo-N,2,3-trimethyl-, methyl ester, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.