1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide

C21H16ClN3O2 — CID 52554012

IUPAC1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
SMILESCN(C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccccc1
InChIInChI=1S/C21H16ClN3O2/c1-24(16-6-3-2-4-7-16)21(26)18-14-19(20-8-5-13-27-20)25(23-18)17-11-9-15(22)10-12-17/h2-14H,1H3
InChIKeyMTUQSPMVXKFICB-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.06
Rot. Bonds4

About 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide

1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide (PubChem CID 52554012) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
PubChem CID52554012
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide
SMILESCN(C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccccc1
InChIInChI=1S/C21H16ClN3O2/c1-24(16-6-3-2-4-7-16)21(26)18-14-19(20-8-5-13-27-20)25(23-18)17-11-9-15(22)10-12-17/h2-14H,1H3
InChIKeyMTUQSPMVXKFICB-UHFFFAOYSA-N
XLogP5.06
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 112811290
1-(4-chlorophenyl)-5-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 24631709
1-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
CID 31935792
1-(4-chlorophenyl)-N-[(3-cyanophenyl)methyl]-5-(furan-2-yl)-N-methylpyrazole-3-carboxamide
CID 55579682
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpyrazole-3-carboxamide
CID 55862493
1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-(4-methylidenepiperidin-1-yl)methanone
CID 56546941
1-(4-chlorophenyl)-5-(furan-2-yl)-N-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 32688634
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)-3-methylpyrazole
CID 126681545
1-(3,4-dichlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxylic acid
CID 29269124
(4-aminopiperidin-1-yl)-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]methanone;hydrochloride
CID 119376116

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide (CID 52554012) is 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide is CN(C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide?
The InChIKey is MTUQSPMVXKFICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-24(16-6-3-2-4-7-16)21(26)18-14-19(20-8-5-13-27-20)25(23-18)17-11-9-15(22)10-12-17/h2-14H,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide?
1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(furan-2-yl)-N-methyl-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 52554012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).