3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide

C19H13N3O3 — CID 976991

IUPAC3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C19H13N3O3/c20-18(23)15-11-22(13-7-2-1-3-8-13)21-17(15)14-10-12-6-4-5-9-16(12)25-19(14)24/h1-11H,(H2,20,23)
InChIKeyMDNAMEMIKLQKBP-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.74
Rot. Bonds3

About 3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide

3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide (PubChem CID 976991) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is 3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide
PubChem CID976991
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC Name3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide
SMILESNC(=O)c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O
InChIInChI=1S/C19H13N3O3/c20-18(23)15-11-22(13-7-2-1-3-8-13)21-17(15)14-10-12-6-4-5-9-16(12)25-19(14)24/h1-11H,(H2,20,23)
InChIKeyMDNAMEMIKLQKBP-UHFFFAOYSA-N
XLogP2.74
TPSA91.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

2H-1-Benzopyran-2-one, 7-(3-methyl-1H-pyrazol-1-yl)-3-phenyl-
CID 80122
ST51001558
CID 342056
3-(4-Methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 788035
N-(2-(4-Ethoxybenzamido)ethyl)-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 46884873
[4-(2-Methoxyphenyl)-1-piperidinyl]-(5-methyl-1-phenyl-4-pyrazolyl)methanone
CID 2810968
3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 818150
methyl 3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 740223
1-naphthyl 5-methyl-1-phenyl-1H-pyrazole-4-carboxylate
CID 850681
5-Methyl-1-phenyl-4-pyrazolecarboxylic acid (4-methoxyphenyl) ester
CID 850682
3-(2-Oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 876573
3-[3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
CID 1223218
3-[4-(Morpholine-4-carbonyl)-1-phenylpyrazol-3-yl]chromen-2-one
CID 1288593

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide (CID 976991) is 3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide is NC(=O)c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O.
What is the InChIKey of 3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is MDNAMEMIKLQKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c20-18(23)15-11-22(13-7-2-1-3-8-13)21-17(15)14-10-12-6-4-5-9-16(12)25-19(14)24/h1-11H,(H2,20,23).
What are the key properties of 3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide?
3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxochromen-3-yl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 976991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).