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

C24H14Cl3FN4O — CID 71072303

IUPAC5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESN#CCc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H14Cl3FN4O/c25-15-3-1-14(2-4-15)23-19(11-12-29)22(24(33)30-18-8-6-17(28)7-9-18)31-32(23)21-10-5-16(26)13-20(21)27/h1-10,13H,11H2,(H,30,33)
InChIKeyOICJCCQRXZGXJX-UHFFFAOYSA-N
MW499.76 g/mol
LogP6.96
Rot. Bonds5

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

5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 71072303) has the molecular formula C24H14Cl3FN4O and a molecular weight of 499.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
PubChem CID71072303
Molecular FormulaC24H14Cl3FN4O
Molecular Weight499.76 g/mol
Exact Mass498.02
IUPAC Name5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
SMILESN#CCc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H14Cl3FN4O/c25-15-3-1-14(2-4-15)23-19(11-12-29)22(24(33)30-18-8-6-17(28)7-9-18)31-32(23)21-10-5-16(26)13-20(21)27/h1-10,13H,11H2,(H,30,33)
InChIKeyOICJCCQRXZGXJX-UHFFFAOYSA-N
XLogP6.96
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.76
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,4-dichlorophenyl)-3-[(4-fluorophenyl)carbamoyl]-5-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 69228719
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652126
5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid
CID 19356255
4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
CID 25027058
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-4-methylpyrazole-3-carboxamide
CID 23652282
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 46225009
methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(fluoromethyl)pyrazole-3-carboxylate
CID 19356254
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]pyrazol-4-yl]acetonitrile
CID 46225145
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(hydroxymethyl)-N-(2-trimethylsilylethyl)pyrazole-3-carboxamide
CID 86567497
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[4-[(3,3,3-trifluoro-2-hydroxypropyl)carbamoyl]phenyl]pyrazole-3-carboxamide
CID 177253007
1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-N-(2,3-dihydro-1H-inden-1-yl)pyrazole-3-carboxamide
CID 46224977
12-chloro-N-(4-chlorophenyl)-3-(2,4-dichlorophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide
CID 11548078

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide (CID 71072303) is 5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide is N#CCc1c(C(=O)Nc2ccc(F)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is OICJCCQRXZGXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl3FN4O/c25-15-3-1-14(2-4-15)23-19(11-12-29)22(24(33)30-18-8-6-17(28)7-9-18)31-32(23)21-10-5-16(26)13-20(21)27/h1-10,13H,11H2,(H,30,33).
What are the key properties of 5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide?
5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 499.76 g/mol, XLogP of 6.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 71072303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).