N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide

C20H15N3O3 — CID 134141022

IUPACN-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cc(-c4ccccc4)n[nH]3)ccc12
InChIInChI=1S/C20H15N3O3/c1-12-9-19(24)26-18-10-14(7-8-15(12)18)21-20(25)17-11-16(22-23-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,25)(H,22,23)
InChIKeyGDHCLQZJPUUWSQ-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.74
Rot. Bonds3

About N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide

N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 134141022) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID134141022
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1cc(=O)oc2cc(NC(=O)c3cc(-c4ccccc4)n[nH]3)ccc12
InChIInChI=1S/C20H15N3O3/c1-12-9-19(24)26-18-10-14(7-8-15(12)18)21-20(25)17-11-16(22-23-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,25)(H,22,23)
InChIKeyGDHCLQZJPUUWSQ-UHFFFAOYSA-N
XLogP3.74
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide (CID 134141022) is N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide is Cc1cc(=O)oc2cc(NC(=O)c3cc(-c4ccccc4)n[nH]3)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is GDHCLQZJPUUWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-12-9-19(24)26-18-10-14(7-8-15(12)18)21-20(25)17-11-16(22-23-17)13-5-3-2-4-6-13/h2-11H,1H3,(H,21,25)(H,22,23).
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide?
N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 134141022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).