(1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone
TL;DR: (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone (CAS 56877-15-7) is a chemical compound with molecular formula C13H14FN3O and molecular weight 247.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1,3-dimethyl-5-(methylamino)pyrazol-4-yl]-(2-fluorophenyl)methanone
Also Known As: Zolazepam Impurity 3, PD 73093, (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone, [1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl](2-fluorophenyl)methanone, KETONE, 1,3-DIMETHYL-5-(METHYLAMINO)-4-PYRAZOLYL o-FLUOROPHENYL
| Molecular Formula | C13H14FN3O |
|---|---|
| Molecular Weight | 247.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 46.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.11209 |
| Heavy Atoms | 18 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 56877-15-7 |
|---|---|
| SMILES | CC1=NN(C(=C1C(=O)C2=CC=CC=C2F)NC)C |
| InChIKey | GJKAEHDZZWMUDS-UHFFFAOYSA-N |
Product Overview
(1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone (CAS 56877-15-7), with molecular formula C13H14FN3O and molecular weight 247.11 g/mol. IUPAC: [1,3-dimethyl-5-(methylamino)pyrazol-4-yl]-(2-fluorophenyl)methanone.
Chemical Property Profile of (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone
Property Insights of (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone. With a topological polar surface area (TPSA) of 46.9 Ų, (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone has 1 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 (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone?
The CAS number of (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone is 56877-15-7.
What is the molecular formula of (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone?
The molecular formula of (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone is C13H14FN3O.
What is the molecular weight of (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone?
The molecular weight of (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone is 247.11 g/mol.
Where can I buy (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone?
You can request a quote for (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dimethyl-5-(methylamino)-1H-pyrazol-4-yl)(2-fluorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.