N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide

C21H19N3O2 — CID 58310669

IUPACN-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)c3ccccc3C2)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H19N3O2/c1-13-8-17(6-7-18(13)16-11-22-23-12-16)24-21(26)15-9-14-4-2-3-5-19(14)20(25)10-15/h2-8,11-12,15H,9-10H2,1H3,(H,22,23)(H,24,26)
InChIKeyGQUMZBVJOAITIQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.77
Rot. Bonds3

About N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide

N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide (PubChem CID 58310669) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
PubChem CID58310669
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC(=O)c3ccccc3C2)ccc1-c1cn[nH]c1
InChIInChI=1S/C21H19N3O2/c1-13-8-17(6-7-18(13)16-11-22-23-12-16)24-21(26)15-9-14-4-2-3-5-19(14)20(25)10-15/h2-8,11-12,15H,9-10H2,1H3,(H,22,23)(H,24,26)
InChIKeyGQUMZBVJOAITIQ-UHFFFAOYSA-N
XLogP3.77
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The IUPAC name of N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide (CID 58310669) is N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The canonical SMILES for N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide is Cc1cc(NC(=O)C2CC(=O)c3ccccc3C2)ccc1-c1cn[nH]c1.
What is the InChIKey of N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
The InChIKey is GQUMZBVJOAITIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-13-8-17(6-7-18(13)16-11-22-23-12-16)24-21(26)15-9-14-4-2-3-5-19(14)20(25)10-15/h2-8,11-12,15H,9-10H2,1H3,(H,22,23)(H,24,26).
What are the key properties of N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide?
N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(1H-pyrazol-4-yl)phenyl]-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide is sourced from PubChem (CID 58310669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).