3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide

C17H15ClN4O2 — CID 5309448

IUPAC3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide
SMILESCOc1cccc(-c2cc(N)nn2C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN4O2/c1-24-14-4-2-3-11(9-14)15-10-16(19)21-22(15)17(23)20-13-7-5-12(18)6-8-13/h2-10H,1H3,(H2,19,21)(H,20,23)
InChIKeyZARJTISKTPONHU-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.87
Rot. Bonds3

About 3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide

3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide (PubChem CID 5309448) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide
PubChem CID5309448
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide
SMILESCOc1cccc(-c2cc(N)nn2C(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H15ClN4O2/c1-24-14-4-2-3-11(9-14)15-10-16(19)21-22(15)17(23)20-13-7-5-12(18)6-8-13/h2-10H,1H3,(H2,19,21)(H,20,23)
InChIKeyZARJTISKTPONHU-UHFFFAOYSA-N
XLogP3.87
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(4-chlorophenyl)-4-(2,4-dimethoxyphenyl)pyrazole-1-carboxamide
CID 1299360
N-(4-chlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203909
ethyl 4-[[5-(3-methoxyphenyl)-1-methylpyrazole-3-carbonyl]amino]benzoate
CID 110336423
N-(4-chlorophenyl)-6-(3-methoxyphenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690070
5-amino-N-(4-chlorophenyl)-3-methylpyrazole-1-carboxamide
CID 110463822
1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243079
N-[4-(dimethylamino)phenyl]-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336418
(3R)-N-(4-chlorophenyl)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 1456069
N-(4-chlorophenyl)-4-[1-(3-methoxyphenyl)-2-methyl-5-phenylpyrrole-3-carbonyl]piperazine-1-carboxamide
CID 42789101
2-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 46079483
5-(2-ethylphenyl)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-1,2,4-triazole-1-carboxamide
CID 14772191
N-[3,5-bis(3-methoxyphenyl)phenyl]-2,2-dichloroacetamide
CID 71459611

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide?
The IUPAC name of 3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide (CID 5309448) is 3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide is COc1cccc(-c2cc(N)nn2C(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide?
The InChIKey is ZARJTISKTPONHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-24-14-4-2-3-11(9-14)15-10-16(19)21-22(15)17(23)20-13-7-5-12(18)6-8-13/h2-10H,1H3,(H2,19,21)(H,20,23).
What are the key properties of 3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide?
3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chlorophenyl)-5-(3-methoxyphenyl)pyrazole-1-carboxamide is sourced from PubChem (CID 5309448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).