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

C18H17ClN4O — CID 140862034

IUPAC5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccccc2C)c1N
InChIInChI=1S/C18H17ClN4O/c1-11-5-3-4-6-16(11)23-17(20)14(10-21-23)18(24)22-15-8-7-13(19)9-12(15)2/h3-10H,20H2,1-2H3,(H,22,24)
InChIKeySJUWSTVEBVZLDR-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.98
Rot. Bonds3

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

5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 140862034) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID140862034
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccccc2C)c1N
InChIInChI=1S/C18H17ClN4O/c1-11-5-3-4-6-16(11)23-17(20)14(10-21-23)18(24)22-15-8-7-13(19)9-12(15)2/h3-10H,20H2,1-2H3,(H,22,24)
InChIKeySJUWSTVEBVZLDR-UHFFFAOYSA-N
XLogP3.98
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-chloro-2-phenylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862149
5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862144
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
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
5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 122640535
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
5-amino-1-(2-fluorophenyl)-N-[2-methyl-5-(1H-pyrazol-5-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 59735130
N-(2-chlorophenyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 46596720
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 140862034) is 5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cnn(-c2ccccc2C)c1N.
What is the InChIKey of 5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is SJUWSTVEBVZLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-5-3-4-6-16(11)23-17(20)14(10-21-23)18(24)22-15-8-7-13(19)9-12(15)2/h3-10H,20H2,1-2H3,(H,22,24).
What are the key properties of 5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide?
5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 140862034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).