5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide

C17H15ClN4O2 — CID 122640535

IUPAC5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C17H15ClN4O2/c1-24-15-5-3-2-4-14(15)22-16(19)13(10-20-22)17(23)21-12-8-6-11(18)7-9-12/h2-10H,19H2,1H3,(H,21,23)
InChIKeyFDUPGWUBHRSPJG-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.37
Rot. Bonds4

About 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide

5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 122640535) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID122640535
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2)c1N
InChIInChI=1S/C17H15ClN4O2/c1-24-15-5-3-2-4-14(15)22-16(19)13(10-20-22)17(23)21-12-8-6-11(18)7-9-12/h2-10H,19H2,1H3,(H,21,23)
InChIKeyFDUPGWUBHRSPJG-UHFFFAOYSA-N
XLogP3.37
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(4-chloro-2-methoxyphenyl)-1-(2,3-dimethylphenyl)pyrazole-4-carboxamide
CID 140861984
5-amino-N-(5-chloro-2-pyridinyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 122640442
5-amino-1-tert-butyl-N-(4-chlorophenyl)pyrazole-4-carboxamide
CID 166238811
5-amino-N-(4-chloro-2-methylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862034
[5-amino-1-(2-methoxyphenyl)pyrazol-4-yl] carbamate
CID 67041372
5-amino-N-(4-chloro-2-phenylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862149
N-(4-chlorophenyl)-2-[[2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanylacetyl]amino]benzamide
CID 55399673
5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2898102
N-(4-chlorophenyl)-2,3,4-trimethoxybenzamide
CID 4794471
5-amino-N-[4-fluoro-3-(prop-2-enoylamino)phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 154838876
5-amino-N-(4-chloro-2-cyanophenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 140862144
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 18227530

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide (CID 122640535) is 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide is COc1ccccc1-n1ncc(C(=O)Nc2ccc(Cl)cc2)c1N.
What is the InChIKey of 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is FDUPGWUBHRSPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-24-15-5-3-2-4-14(15)22-16(19)13(10-20-22)17(23)21-12-8-6-11(18)7-9-12/h2-10H,19H2,1H3,(H,21,23).
What are the key properties of 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide?
5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 122640535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).