1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone

C13H14N2O2 — CID 83894143

IUPAC1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
SMILESCOc1ccc(Cn2cc(C(C)=O)cn2)cc1
InChIInChI=1S/C13H14N2O2/c1-10(16)12-7-14-15(9-12)8-11-3-5-13(17-2)6-4-11/h3-7,9H,8H2,1-2H3
InChIKeyHVUIVTRGLLJRJL-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.14
Rot. Bonds4

About 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone

1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone (PubChem CID 83894143) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
PubChem CID83894143
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone
SMILESCOc1ccc(Cn2cc(C(C)=O)cn2)cc1
InChIInChI=1S/C13H14N2O2/c1-10(16)12-7-14-15(9-12)8-11-3-5-13(17-2)6-4-11/h3-7,9H,8H2,1-2H3
InChIKeyHVUIVTRGLLJRJL-UHFFFAOYSA-N
XLogP2.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone 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

(2S)-2-(dimethylamino)-2-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]acetic acid
CID 97277528
5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxylic acid
CID 122559517
4-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]aniline
CID 63328527
1-[1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]pyrazol-4-yl]ethanone
CID 174281602
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrazol-4-yl]ethanone
CID 107886857
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 119526509
1-[(4-methoxyphenyl)methyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119443218
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 119659743
3-imino-3-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]propanenitrile
CID 123181538
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
N-(3-amino-4-methylpentyl)-1-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide;hydrochloride
CID 119659742

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone (CID 83894143) is 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone is COc1ccc(Cn2cc(C(C)=O)cn2)cc1.
What is the InChIKey of 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone?
The InChIKey is HVUIVTRGLLJRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-10(16)12-7-14-15(9-12)8-11-3-5-13(17-2)6-4-11/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone?
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone has a molecular weight of 230.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 83894143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).