1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol
TL;DR: 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol (CAS 331868-93-0) is a chemical compound with molecular formula C12H13IN2O2 and molecular weight 344.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(4-iodophenyl)methanone
Also Known As: BAS 00654313, 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol, (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(4-iodophenyl)methanone, (5-Hydroxy-3,5-dimethyl-4,5-dihydro-pyrazol-1-yl)-(4-iodo-phenyl)-methanone, 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol #
| Molecular Formula | C12H13IN2O2 |
|---|---|
| Molecular Weight | 344.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.00217 |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 331868-93-0 |
|---|---|
| SMILES | CC1=NN(C(C1)(C)O)C(=O)C2=CC=C(C=C2)I |
| InChIKey | SHYTXNYBWFCWHH-UHFFFAOYSA-N |
Product Overview
1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol (CAS 331868-93-0), with molecular formula C12H13IN2O2 and molecular weight 344.00 g/mol. IUPAC: (5-hydroxy-3,5-dimethyl-4H-pyrazol-1-yl)-(4-iodophenyl)methanone.
Chemical Property Profile of 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol
Property Insights of 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol. With a topological polar surface area (TPSA) of 52.9 Ų, 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol has 1 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 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol?
The CAS number of 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol is 331868-93-0.
What is the molecular formula of 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol?
The molecular formula of 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol is C12H13IN2O2.
What is the molecular weight of 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol?
The molecular weight of 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol is 344.00 g/mol.
Where can I buy 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol?
You can request a quote for 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Iodobenzoyl)-3,5-dimethyl-4,5-dihydro-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.