N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C21H17ClN4O2 — CID 20892594

IUPACN-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C21H17ClN4O2/c1-28-19-10-9-15(22)13-18(19)24-20(27)17-14-23-26(16-7-3-2-4-8-16)21(17)25-11-5-6-12-25/h2-14H,1H3,(H,24,27)
InChIKeyKUKXLCKFRZTYHA-UHFFFAOYSA-N
MW392.85 g/mol
LogP4.58
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20892594) has the molecular formula C21H17ClN4O2 and a molecular weight of 392.85 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20892594
Molecular FormulaC21H17ClN4O2
Molecular Weight392.85 g/mol
Exact Mass392.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C21H17ClN4O2/c1-28-19-10-9-15(22)13-18(19)24-20(27)17-14-23-26(16-7-3-2-4-8-16)21(17)25-11-5-6-12-25/h2-14H,1H3,(H,24,27)
InChIKeyKUKXLCKFRZTYHA-UHFFFAOYSA-N
XLogP4.58
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.85
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936757
N-(5-bromo-2-methoxyphenyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 55905390
N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20885984
N-(5-chloro-2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 755928
1-(4-chlorophenyl)-N-(2-methoxyethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 30436764
N-(2-fluorophenyl)-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915281
N-(5-chloro-2-methoxyphenyl)-1-methylindole-3-carboxamide
CID 29202307
N-[(5-chloro-2-ethylsulfanylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 134548634
5-chloro-N-(2,4-dimethoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 73254440
N-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053351
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915052
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20892594) is N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cnn(-c2ccccc2)c1-n1cccc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is KUKXLCKFRZTYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2/c1-28-19-10-9-15(22)13-18(19)24-20(27)17-14-23-26(16-7-3-2-4-8-16)21(17)25-11-5-6-12-25/h2-14H,1H3,(H,24,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 392.85 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20892594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).