1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide

C16H15N3O3 — CID 17126689

IUPAC1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C16H15N3O3/c1-3-19-7-6-13(18-19)16(21)17-11-4-5-12-10(2)8-15(20)22-14(12)9-11/h4-9H,3H2,1-2H3,(H,17,21)
InChIKeyPZBWILZFOOYSCE-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.57
Rot. Bonds3

About 1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide

1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide (PubChem CID 17126689) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide
PubChem CID17126689
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C16H15N3O3/c1-3-19-7-6-13(18-19)16(21)17-11-4-5-12-10(2)8-15(20)22-14(12)9-11/h4-9H,3H2,1-2H3,(H,17,21)
InChIKeyPZBWILZFOOYSCE-UHFFFAOYSA-N
XLogP2.57
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.57
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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazole-3-carboxamide
CID 11837959
1-methyl-4-nitro-N-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-1H-pyrazole-3-carboxamide
CID 1001330
4-bromo-1-methyl-N-[2-oxo-4-(trifluoromethyl)-2H-chromen-7-yl]-1H-pyrazole-3-carboxamide
CID 1017906
4-chloro-2-methyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide
CID 6469392
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
Ethyl 4-{1-methyl-1H,4H-chromeno[4,3-C]pyrazole-3-amido}benzoate
CID 16017052
3-(2-oxo-2H-chromen-3-yl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 976991
4-{[(2,4-difluorophenyl)amino]carbonyl}phenyl 1-methyl-1H-pyrazole-3-carboxylate
CID 1508317
2-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-(4-methyl-2-oxo-2H-chromen-7-yl)hydrazinecarbothioamide
CID 2209136
(E)-N-[2-(dimethylamino)ethyl]-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2475487
1-methyl-N-(4-methyl-2-oxo-2H-chromen-7-yl)-1H-pyrazole-5-carboxamide
CID 6467183

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide (CID 17126689) is 1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)n1.
What is the InChIKey of 1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide?
The InChIKey is PZBWILZFOOYSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-3-19-7-6-13(18-19)16(21)17-11-4-5-12-10(2)8-15(20)22-14(12)9-11/h4-9H,3H2,1-2H3,(H,17,21).
What are the key properties of 1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide?
1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methyl-2-oxochromen-7-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 17126689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).