1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone

C16H14N2O2 — CID 968994

IUPAC1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone
SMILESCc1ccn(C(=O)COc2cccc3ccccc23)n1
InChIInChI=1S/C16H14N2O2/c1-12-9-10-18(17-12)16(19)11-20-15-8-4-6-13-5-2-3-7-14(13)15/h2-10H,11H2,1H3
InChIKeyJMXCFJHDBWPGAH-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.06
Rot. Bonds3

About 1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone

1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone (PubChem CID 968994) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone.

Molecular Properties

Compound Name1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone
PubChem CID968994
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone
SMILESCc1ccn(C(=O)COc2cccc3ccccc23)n1
InChIInChI=1S/C16H14N2O2/c1-12-9-10-18(17-12)16(19)11-20-15-8-4-6-13-5-2-3-7-14(13)15/h2-10H,11H2,1H3
InChIKeyJMXCFJHDBWPGAH-UHFFFAOYSA-N
XLogP3.06
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone 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

2-methoxy-1-(3-methylpyrazol-1-yl)ethanone
CID 59826809
2-(2,4-dibromophenoxy)-1-(3-methylpyrazol-1-yl)ethanone
CID 4133152
3-methyl-1-naphthalen-1-yloxybutan-2-one
CID 79395677
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548
N-(2-methylnaphthalen-1-yl)-2-naphthalen-1-yloxyacetamide
CID 856175
N'-acetyl-2-naphthalen-1-yloxyacetohydrazide
CID 922179
N-(5-iodo-6-methyl-2-pyridinyl)-2-naphthalen-1-yloxyacetamide
CID 22776946
N-tert-butyl-2-naphthalen-1-yloxyacetamide
CID 954544
2-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050442
4-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050449
1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643
1-(4-methylsulfonyl-1,4-diazepan-1-yl)-2-naphthalen-1-yloxyethanone
CID 39977224

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone?
The IUPAC name of 1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone (CID 968994) is 1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone.
What is the SMILES notation for 1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone?
The canonical SMILES for 1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone is Cc1ccn(C(=O)COc2cccc3ccccc23)n1.
What is the InChIKey of 1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone?
The InChIKey is JMXCFJHDBWPGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12-9-10-18(17-12)16(19)11-20-15-8-4-6-13-5-2-3-7-14(13)15/h2-10H,11H2,1H3.
What are the key properties of 1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone?
1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone has a molecular weight of 266.30 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrazol-1-yl)-2-naphthalen-1-yloxyethanone is sourced from PubChem (CID 968994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).