1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one
TL;DR: 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one (CAS 382176-88-7) is a chemical compound with molecular formula C11H18N2O and molecular weight 194.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one
Also Known As: 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one, 1-(cyclohexylmethyl)-3-methyl-4,5-dihydro-1H-pyrazol-5-one, 2-(cyclohexylmethyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C11H18N2O |
|---|---|
| Molecular Weight | 194.14 g/mol |
| LogP | 2.1749 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.1419 |
| Heavy Atoms | 14 |
| Complexity | 254.01315 |
Chemical Identifiers
| CAS Number | 382176-88-7 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)CC2CCCCC2 |
Product Overview
1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one (CAS 382176-88-7), with molecular formula C11H18N2O and molecular weight 194.14 g/mol. IUPAC: 2-(cyclohexylmethyl)-5-methyl-4H-pyrazol-3-one.
Chemical Property Profile of 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one
Property Insights of 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one
The XLogP value of 2.1749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one. With a topological polar surface area (TPSA) of 32.67 Ų, 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one has 0 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 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one?
The CAS number of 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one is 382176-88-7.
What is the molecular formula of 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one?
The molecular formula of 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one is C11H18N2O.
What is the molecular weight of 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one?
The molecular weight of 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one is 194.14 g/mol.
Where can I buy 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one?
You can request a quote for 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(cyclohexylmethyl)-3-methyl-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.