1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide

C24H15Cl2FN4O — CID 46224921

IUPAC1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESN#CCc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H15Cl2FN4O/c25-16-7-5-15(6-8-16)23-19(13-14-28)22(24(32)29-18-11-9-17(27)10-12-18)30-31(23)21-4-2-1-3-20(21)26/h1-12H,13H2,(H,29,32)
InChIKeyUQTAUKFNHKTXIB-UHFFFAOYSA-N
MW465.32 g/mol
LogP6.30
Rot. Bonds5

About 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide

1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 46224921) has the molecular formula C24H15Cl2FN4O and a molecular weight of 465.32 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID46224921
Molecular FormulaC24H15Cl2FN4O
Molecular Weight465.32 g/mol
Exact Mass464.06
IUPAC Name1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESN#CCc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H15Cl2FN4O/c25-16-7-5-15(6-8-16)23-19(13-14-28)22(24(32)29-18-11-9-17(27)10-12-18)30-31(23)21-4-2-1-3-20(21)26/h1-12H,13H2,(H,29,32)
InChIKeyUQTAUKFNHKTXIB-UHFFFAOYSA-N
XLogP6.30
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.32
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide (CID 46224921) is 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide is N#CCc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is UQTAUKFNHKTXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2FN4O/c25-16-7-5-15(6-8-16)23-19(13-14-28)22(24(32)29-18-11-9-17(27)10-12-18)30-31(23)21-4-2-1-3-20(21)26/h1-12H,13H2,(H,29,32).
What are the key properties of 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide?
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 465.32 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46224921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).