N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide

C20H19N3O — CID 11758930

IUPACN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)n[nH]2)cc1
InChIInChI=1S/C20H19N3O/c1-13-6-8-14(9-7-13)18-12-19(23-22-18)21-20(24)17-10-15-4-2-3-5-16(15)11-17/h2-9,12,17H,10-11H2,1H3,(H2,21,22,23,24)
InChIKeyJIXIGSQBNJKHBP-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.74
Rot. Bonds3

About N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide

N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 11758930) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID11758930
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)n[nH]2)cc1
InChIInChI=1S/C20H19N3O/c1-13-6-8-14(9-7-13)18-12-19(23-22-18)21-20(24)17-10-15-4-2-3-5-16(15)11-17/h2-9,12,17H,10-11H2,1H3,(H2,21,22,23,24)
InChIKeyJIXIGSQBNJKHBP-UHFFFAOYSA-N
XLogP3.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide (CID 11758930) is N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide is Cc1ccc(-c2cc(NC(=O)C3Cc4ccccc4C3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is JIXIGSQBNJKHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13-6-8-14(9-7-13)18-12-19(23-22-18)21-20(24)17-10-15-4-2-3-5-16(15)11-17/h2-9,12,17H,10-11H2,1H3,(H2,21,22,23,24).
What are the key properties of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 11758930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).