3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide

C17H17N3O — CID 78905445

IUPAC3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
SMILESCn1cc(CCC(=O)Nc2ccc3ccccc3c2)cn1
InChIInChI=1S/C17H17N3O/c1-20-12-13(11-18-20)6-9-17(21)19-16-8-7-14-4-2-3-5-15(14)10-16/h2-5,7-8,10-12H,6,9H2,1H3,(H,19,21)
InChIKeyGHEFWDAUNLGVSM-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.14
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide

3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide (PubChem CID 78905445) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
PubChem CID78905445
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide
SMILESCn1cc(CCC(=O)Nc2ccc3ccccc3c2)cn1
InChIInChI=1S/C17H17N3O/c1-20-12-13(11-18-20)6-9-17(21)19-16-8-7-14-4-2-3-5-15(14)10-16/h2-5,7-8,10-12H,6,9H2,1H3,(H,19,21)
InChIKeyGHEFWDAUNLGVSM-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35532642
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 60527071
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 131933215
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-(1-methylpyrazol-4-yl)propanamide
CID 131942241
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 60527045
2-chloro-N-cyclopropyl-5-[3-(1-methylpyrazol-4-yl)propanoylamino]benzamide
CID 87026477
N-isoquinolin-6-yl-3-phenylpropanamide
CID 24999503
N-(1-methylpyrazol-4-yl)-3-pyridin-4-ylpropanamide
CID 60508064
N-[4-acetamido-2-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024241
3-(1-methylpyrazol-4-yl)-N-[4-(3-methylpyrazol-1-yl)phenyl]propanamide
CID 35536101
N-(3-hydroxy-2-pyridinyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 47298670
N-(2,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propanamide
CID 35591649

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide (CID 78905445) is 3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide is Cn1cc(CCC(=O)Nc2ccc3ccccc3c2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide?
The InChIKey is GHEFWDAUNLGVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-20-12-13(11-18-20)6-9-17(21)19-16-8-7-14-4-2-3-5-15(14)10-16/h2-5,7-8,10-12H,6,9H2,1H3,(H,19,21).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide?
3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide has a molecular weight of 279.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 78905445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).