N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide

C17H17N3O3 — CID 171915214

IUPACN-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide
SMILESCCC(NC(=O)c1cc2ccccc2oc1=O)c1ccnn1C
InChIInChI=1S/C17H17N3O3/c1-3-13(14-8-9-18-20(14)2)19-16(21)12-10-11-6-4-5-7-15(11)23-17(12)22/h4-10,13H,3H2,1-2H3,(H,19,21)
InChIKeyGXGBNSKIZOAEOB-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide

N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide (PubChem CID 171915214) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide
PubChem CID171915214
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide
SMILESCCC(NC(=O)c1cc2ccccc2oc1=O)c1ccnn1C
InChIInChI=1S/C17H17N3O3/c1-3-13(14-8-9-18-20(14)2)19-16(21)12-10-11-6-4-5-7-15(11)23-17(12)22/h4-10,13H,3H2,1-2H3,(H,19,21)
InChIKeyGXGBNSKIZOAEOB-UHFFFAOYSA-N
XLogP2.41
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.41
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

2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
CID 40635761
N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide
CID 9297376
2-[(2-oxochromene-3-carbonyl)amino]butanoic acid
CID 43469616
2-oxo-N-(2-pyrazol-1-ylethyl)chromene-3-carboxamide
CID 110742740
(2R)-4-methyl-2-[(2-oxochromene-3-carbonyl)amino]pentanoic acid
CID 119363439
2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide
CID 115661722
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
3-methoxy-2-[(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 81084500
2-oxo-N-(2-propan-2-ylpyrazol-3-yl)chromene-3-carboxamide
CID 30183382
N-[1-(4-ethylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 17326877
2-oxo-N-(1-pyridin-3-ylethyl)chromene-3-carboxamide
CID 18163014

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide (CID 171915214) is N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide is CCC(NC(=O)c1cc2ccccc2oc1=O)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide?
The InChIKey is GXGBNSKIZOAEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-3-13(14-8-9-18-20(14)2)19-16(21)12-10-11-6-4-5-7-15(11)23-17(12)22/h4-10,13H,3H2,1-2H3,(H,19,21).
What are the key properties of N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide?
N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)propyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 171915214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).