![dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate structure](/static/products/5142/514217-46-0.webp)
dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate
TL;DR: dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate (CAS 514217-46-0) is a chemical compound with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(2-methylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
Also Known As: dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate, dimethyl 5-(1-methyl-1H-pyrazole-5-carboxamido)isophthalate, dimethyl 5-[(2-methylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzene-1,3-dicarboxylate
| Molecular Formula | C15H15N3O5 |
|---|---|
| Molecular Weight | 317.10 g/mol |
| LogP | 1.2456 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.10117 |
| Heavy Atoms | 23 |
| Complexity | 731.9729 |
Chemical Identifiers
| CAS Number | 514217-46-0 |
|---|---|
| SMILES | CN1C(=CC=N1)C(=O)NC2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate (CAS 514217-46-0), with molecular formula C15H15N3O5 and molecular weight 317.10 g/mol. IUPAC: dimethyl 5-[(2-methylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate
Property Insights of dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate
The XLogP value of 1.2456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate. Following Lipinski's Rule of Five, dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate has 1 hydrogen bond donor(s) and 6 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 dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate?
The CAS number of dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate is 514217-46-0.
What is the molecular formula of dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate?
The molecular formula of dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate is C15H15N3O5.
What is the molecular weight of dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate?
The molecular weight of dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate is 317.10 g/mol.
Where can I buy dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate?
You can request a quote for dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 5-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.