N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide

C23H18ClN3O2 — CID 7934858

IUPACN-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1Cl
InChIInChI=1S/C23H18ClN3O2/c1-29-22-13-12-17(14-19(22)24)25-23(28)21-15-20(16-8-4-2-5-9-16)26-27(21)18-10-6-3-7-11-18/h2-15H,1H3,(H,25,28)
InChIKeyLMBHQQDESMNPNR-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.45
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide

N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide (PubChem CID 7934858) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
PubChem CID7934858
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1Cl
InChIInChI=1S/C23H18ClN3O2/c1-29-22-13-12-17(14-19(22)24)25-23(28)21-15-20(16-8-4-2-5-9-16)26-27(21)18-10-6-3-7-11-18/h2-15H,1H3,(H,25,28)
InChIKeyLMBHQQDESMNPNR-UHFFFAOYSA-N
XLogP5.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N-(3-chloro-2-methylphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7915082
N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791811
N-[2-methoxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-1,3-diphenylpyrazole-5-carboxamide
CID 4966055
N-(3-chloro-4-methoxyphenyl)-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17077496
N-(3-chloro-4-methoxyphenyl)-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112803447
3-(3,4-dimethylphenyl)-N-(4-fluorophenyl)-1-phenylpyrazole-5-carboxamide
CID 4015371
N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-6-oxo-4-phenylpyrimidin-1-yl)acetamide
CID 7747874
methyl 3-[(1,3-diphenylpyrazole-5-carbonyl)amino]-4-methylbenzoate
CID 7920471
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754604
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 41251415
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide (CID 7934858) is N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide?
The InChIKey is LMBHQQDESMNPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-29-22-13-12-17(14-19(22)24)25-23(28)21-15-20(16-8-4-2-5-9-16)26-27(21)18-10-6-3-7-11-18/h2-15H,1H3,(H,25,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide?
N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide is sourced from PubChem (CID 7934858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).