Pyrazole, 1-benzoyl-4-(dimethylamino)-
TL;DR: Pyrazole, 1-benzoyl-4-(dimethylamino)- (CAS 28466-17-3) is a chemical compound with molecular formula C12H13N3O and molecular weight 215.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylamino)pyrazol-1-yl]-phenylmethanone
Also Known As: Pyrazole, 1-benzoyl-4-(dimethylamino)-, 1-Benzoyl-4-(dimethylamino)pyrazole, 5-25-09-00427 (Beilstein Handbook Reference), [4-(dimethylamino)pyrazol-1-yl]-phenylmethanone, [4-(dimethylamino)-1H-pyrazol-1-yl](phenyl)methanone
| Molecular Formula | C12H13N3O |
|---|---|
| Molecular Weight | 215.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.10587 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 28466-17-3 |
|---|---|
| SMILES | CN(C)C1=CN(N=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | NWWCMNGCHJKDOC-UHFFFAOYSA-N |
Product Overview
Pyrazole, 1-benzoyl-4-(dimethylamino)- (CAS 28466-17-3), with molecular formula C12H13N3O and molecular weight 215.11 g/mol. IUPAC: [4-(dimethylamino)pyrazol-1-yl]-phenylmethanone.
Chemical Property Profile of Pyrazole, 1-benzoyl-4-(dimethylamino)-
Property Insights of Pyrazole, 1-benzoyl-4-(dimethylamino)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazole, 1-benzoyl-4-(dimethylamino)-. With a topological polar surface area (TPSA) of 38.1 Ų, Pyrazole, 1-benzoyl-4-(dimethylamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazole, 1-benzoyl-4-(dimethylamino)- has 0 hydrogen bond donor(s) and 3 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 Pyrazole, 1-benzoyl-4-(dimethylamino)-?
The CAS number of Pyrazole, 1-benzoyl-4-(dimethylamino)- is 28466-17-3.
What is the molecular formula of Pyrazole, 1-benzoyl-4-(dimethylamino)-?
The molecular formula of Pyrazole, 1-benzoyl-4-(dimethylamino)- is C12H13N3O.
What is the molecular weight of Pyrazole, 1-benzoyl-4-(dimethylamino)-?
The molecular weight of Pyrazole, 1-benzoyl-4-(dimethylamino)- is 215.11 g/mol.
Where can I buy Pyrazole, 1-benzoyl-4-(dimethylamino)-?
You can request a quote for Pyrazole, 1-benzoyl-4-(dimethylamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazole, 1-benzoyl-4-(dimethylamino)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrazole, 1-benzoyl-4-(dimethylamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.