2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide

C29H22ClFN4O — CID 18674045

IUPAC2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide
SMILESCN(C(=O)Cc1ccccc1Cl)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C29H22ClFN4O/c1-34(26(36)19-22-7-5-6-10-25(22)30)29-27(20-15-17-32-18-16-20)28(21-11-13-23(31)14-12-21)33-35(29)24-8-3-2-4-9-24/h2-18H,19H2,1H3
InChIKeyOSASNVQRHZKNMC-UHFFFAOYSA-N
MW496.97 g/mol
LogP6.60
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide

2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide (PubChem CID 18674045) has the molecular formula C29H22ClFN4O and a molecular weight of 496.97 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide
PubChem CID18674045
Molecular FormulaC29H22ClFN4O
Molecular Weight496.97 g/mol
Exact Mass496.15
IUPAC Name2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide
SMILESCN(C(=O)Cc1ccccc1Cl)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1-c1ccccc1
InChIInChI=1S/C29H22ClFN4O/c1-34(26(36)19-22-7-5-6-10-25(22)30)29-27(20-15-17-32-18-16-20)28(21-11-13-23(31)14-12-21)33-35(29)24-8-3-2-4-9-24/h2-18H,19H2,1H3
InChIKeyOSASNVQRHZKNMC-UHFFFAOYSA-N
XLogP6.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.97
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide (CID 18674045) is 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide is CN(C(=O)Cc1ccccc1Cl)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1-c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide?
The InChIKey is OSASNVQRHZKNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClFN4O/c1-34(26(36)19-22-7-5-6-10-25(22)30)29-27(20-15-17-32-18-16-20)28(21-11-13-23(31)14-12-21)33-35(29)24-8-3-2-4-9-24/h2-18H,19H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide?
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide has a molecular weight of 496.97 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-phenyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 18674045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).