3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one
TL;DR: 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one (CAS 934-41-8) is a chemical compound with molecular formula C7H12N2O and molecular weight 140.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-propan-2-yl-4H-pyrazol-3-one
Also Known As: 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one, 1-isopropyl-3-methyl-1H-pyrazol-5(4H)-one, 5-methyl-2-propan-2-yl-4H-pyrazol-3-one, 2-ISOPROPYL-5-METHYL-4H-PYRAZOL-3-ONE, 2-Isopropyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C7H12N2O |
|---|---|
| Molecular Weight | 140.09 g/mol |
| LogP | 1.003 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.09496 |
| Heavy Atoms | 10 |
| Complexity | 184.04514 |
Chemical Identifiers
| CAS Number | 934-41-8 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C(C)C |
Product Overview
3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one (CAS 934-41-8), with molecular formula C7H12N2O and molecular weight 140.09 g/mol. IUPAC: 5-methyl-2-propan-2-yl-4H-pyrazol-3-one.
Chemical Property Profile of 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one
Property Insights of 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one
The XLogP value of 1.003 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one. With a topological polar surface area (TPSA) of 32.67 Ų, 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-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 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one?
The CAS number of 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one is 934-41-8.
What is the molecular formula of 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one?
The molecular formula of 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one is C7H12N2O.
What is the molecular weight of 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one?
The molecular weight of 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one is 140.09 g/mol.
Where can I buy 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one?
You can request a quote for 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-pyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.