1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide

C21H16ClN3O3 — CID 32688634

IUPAC1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H16ClN3O3/c1-27-19-6-3-2-5-16(19)23-21(26)17-13-18(20-7-4-12-28-20)25(24-17)15-10-8-14(22)9-11-15/h2-13H,1H3,(H,23,26)
InChIKeyBOLOPBJJCKZFEW-UHFFFAOYSA-N
MW393.83 g/mol
LogP5.05
Rot. Bonds5

About 1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide

1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide (PubChem CID 32688634) has the molecular formula C21H16ClN3O3 and a molecular weight of 393.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide
PubChem CID32688634
Molecular FormulaC21H16ClN3O3
Molecular Weight393.83 g/mol
Exact Mass393.09
IUPAC Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H16ClN3O3/c1-27-19-6-3-2-5-16(19)23-21(26)17-13-18(20-7-4-12-28-20)25(24-17)15-10-8-14(22)9-11-15/h2-13H,1H3,(H,23,26)
InChIKeyBOLOPBJJCKZFEW-UHFFFAOYSA-N
XLogP5.05
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.83
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 46528953
1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514272
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-3-carboxamide
CID 55700375
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-1-(4-chlorophenyl)-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
CID 55529997
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[4-(methylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 30391460
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pyrazole-3-carboxamide
CID 60610434
1-(4-chlorophenyl)-5-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 24631709
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 112811290
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
CID 52554012
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[1-oxo-1-(propylamino)propan-2-yl]pyrazole-3-carboxamide
CID 17491464
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 48730832
N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide (CID 32688634) is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide is COc1ccccc1NC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is BOLOPBJJCKZFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O3/c1-27-19-6-3-2-5-16(19)23-21(26)17-13-18(20-7-4-12-28-20)25(24-17)15-10-8-14(22)9-11-15/h2-13H,1H3,(H,23,26).
What are the key properties of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide?
1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 32688634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).