N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide

C16H12N4O — CID 78914172

IUPACN-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
SMILESN#Cc1cn[nH]c1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H12N4O/c17-9-13-10-18-20-16(13)19-15(21)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,10H,8H2,(H2,18,19,20,21)
InChIKeyRWEVPCDYMMMBEQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.62
Rot. Bonds3

About N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide

N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide (PubChem CID 78914172) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
PubChem CID78914172
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC NameN-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
SMILESN#Cc1cn[nH]c1NC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C16H12N4O/c17-9-13-10-18-20-16(13)19-15(21)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,10H,8H2,(H2,18,19,20,21)
InChIKeyRWEVPCDYMMMBEQ-UHFFFAOYSA-N
XLogP2.62
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethyl-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide
CID 115680720
N-(4-cyano-1H-pyrazol-5-yl)-2-thiophen-2-ylacetamide
CID 79503473
methyl 4-[(2-naphthalen-1-ylacetyl)amino]-1H-pyrazole-5-carboxylate
CID 52941226
N-(4-cyano-1H-pyrazol-5-yl)quinoline-5-carboxamide
CID 79503748
N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide
CID 78913810
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-naphthalen-1-ylacetamide
CID 115594855
2-naphthalen-1-yl-N-pyridin-2-ylacetamide;hydrochloride
CID 163331171
N-(6-chloro-2-pyridinyl)-2-naphthalen-1-ylacetamide
CID 115669454
N-[5-(5-bromo-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-1-ylacetamide
CID 57044297
N-(4-cyano-1H-pyrazol-5-yl)-2-oxochromene-3-carboxamide
CID 110473786
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-1-ylacetamide
CID 9247060
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylacetamide
CID 108740257

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide (CID 78914172) is N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide is N#Cc1cn[nH]c1NC(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide?
The InChIKey is RWEVPCDYMMMBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c17-9-13-10-18-20-16(13)19-15(21)8-12-6-3-5-11-4-1-2-7-14(11)12/h1-7,10H,8H2,(H2,18,19,20,21).
What are the key properties of N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide?
N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide has a molecular weight of 276.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1H-pyrazol-5-yl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 78914172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).