N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
TL;DR: N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide (CAS 525580-72-7) is a chemical compound with molecular formula C13H18N4O2 and molecular weight 262.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide
Also Known As: AN-329/41290856, N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide, N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide, N-[(5,5-dimethyl-3-oxocyclohexylidene)azamethyl](3-methylpyrazol-5-yl)carboxam ide
| Molecular Formula | C13H18N4O2 |
|---|---|
| Molecular Weight | 262.14 g/mol |
| LogP | 1.58312 |
| Topological Polar Surface Area | 87.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.14297 |
| Heavy Atoms | 19 |
| Complexity | 542.593 |
Chemical Identifiers
| CAS Number | 525580-72-7 |
|---|---|
| SMILES | CC1=CC(=NN1)C(=O)N/N=C/2\CC(=O)CC(C2)(C)C |
Product Overview
N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide (CAS 525580-72-7), with molecular formula C13H18N4O2 and molecular weight 262.14 g/mol. IUPAC: N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-5-methyl-1H-pyrazole-3-carboxamide.
Chemical Property Profile of N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
Property Insights of N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
The XLogP value of 1.58312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide. The TPSA of 87.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide. Following Lipinski's Rule of Five, N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide has 2 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 N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide?
The CAS number of N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide is 525580-72-7.
What is the molecular formula of N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide?
The molecular formula of N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide is C13H18N4O2.
What is the molecular weight of N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide?
The molecular weight of N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide is 262.14 g/mol.
Where can I buy N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide?
You can request a quote for N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-(3,3-dimethyl-5-oxocyclohexylidene)-3-methyl-1H-pyrazole-5-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.