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

C24H20ClFN4O — CID 18674186

IUPAC2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide
SMILESCN(C(=O)Cc1ccccc1Cl)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C24H20ClFN4O/c1-29(21(31)15-18-5-3-4-6-20(18)25)24-22(16-11-13-27-14-12-16)23(28-30(24)2)17-7-9-19(26)10-8-17/h3-14H,15H2,1-2H3
InChIKeyGTMBAPUTQLIZIP-UHFFFAOYSA-N
MW434.90 g/mol
LogP5.15
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide (PubChem CID 18674186) has the molecular formula C24H20ClFN4O and a molecular weight of 434.90 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide
PubChem CID18674186
Molecular FormulaC24H20ClFN4O
Molecular Weight434.90 g/mol
Exact Mass434.13
IUPAC Name2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide
SMILESCN(C(=O)Cc1ccccc1Cl)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C24H20ClFN4O/c1-29(21(31)15-18-5-3-4-6-20(18)25)24-22(16-11-13-27-14-12-16)23(28-30(24)2)17-7-9-19(26)10-8-17/h3-14H,15H2,1-2H3
InChIKeyGTMBAPUTQLIZIP-UHFFFAOYSA-N
XLogP5.15
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.90
LogP ≤ 55.15
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-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide (CID 18674186) is 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide is CN(C(=O)Cc1ccccc1Cl)c1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C.
What is the InChIKey of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide?
The InChIKey is GTMBAPUTQLIZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN4O/c1-29(21(31)15-18-5-3-4-6-20(18)25)24-22(16-11-13-27-14-12-16)23(28-30(24)2)17-7-9-19(26)10-8-17/h3-14H,15H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide?
2-(2-chlorophenyl)-N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide has a molecular weight of 434.90 g/mol, XLogP of 5.15, 5 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-methyl-4-pyridin-4-ylpyrazol-5-yl]-N-methylacetamide is sourced from PubChem (CID 18674186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).