5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide

C18H14ClN5O — CID 140862144

IUPAC5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2C#N)c1N
InChIInChI=1S/C18H14ClN5O/c1-11-4-2-3-5-16(11)24-17(21)14(10-22-24)18(25)23-15-7-6-13(19)8-12(15)9-20/h2-8,10H,21H2,1H3,(H,23,25)
InChIKeyHCYBKJWSTSWJHK-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.54
Rot. Bonds3

About 5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide

5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 140862144) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID140862144
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2C#N)c1N
InChIInChI=1S/C18H14ClN5O/c1-11-4-2-3-5-16(11)24-17(21)14(10-22-24)18(25)23-15-7-6-13(19)8-12(15)9-20/h2-8,10H,21H2,1H3,(H,23,25)
InChIKeyHCYBKJWSTSWJHK-UHFFFAOYSA-N
XLogP3.54
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862034
5-amino-N-(4-chloro-2-phenylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862149
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 122640442
5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide
CID 140861984
2-acetyl-N-(4-chloro-2-cyanophenyl)benzamide
CID 90451435
5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 154838876
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208
2-amino-N-(5-chloro-2-cyanophenyl)-3-methylbenzamide
CID 64914385
5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 122640535
5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 59735130
5-chloro-N-(2-cyanophenyl)-2-(methylamino)benzamide
CID 62167777
N-(5-cyano-2-methoxyphenyl)-1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 154806675

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 140862144) is 5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2C#N)c1N.
What is the InChIKey of 5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is HCYBKJWSTSWJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-11-4-2-3-5-16(11)24-17(21)14(10-22-24)18(25)23-15-7-6-13(19)8-12(15)9-20/h2-8,10H,21H2,1H3,(H,23,25).
What are the key properties of 5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 351.80 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 140862144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).