1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one

C15H18N2O — CID 103007359

IUPAC1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one
SMILESCc1ccc(CC(=O)CCc2ccnn2C)cc1
InChIInChI=1S/C15H18N2O/c1-12-3-5-13(6-4-12)11-15(18)8-7-14-9-10-16-17(14)2/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyWILCLLUCIDKQNU-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.47
Rot. Bonds5

About 1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one

1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one (PubChem CID 103007359) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one
PubChem CID103007359
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one
SMILESCc1ccc(CC(=O)CCc2ccnn2C)cc1
InChIInChI=1S/C15H18N2O/c1-12-3-5-13(6-4-12)11-15(18)8-7-14-9-10-16-17(14)2/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyWILCLLUCIDKQNU-UHFFFAOYSA-N
XLogP2.47
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one 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-[4-[3-(2-methylpyrazol-3-yl)propanoylamino]phenyl]acetic acid
CID 120537812
1-(1-methoxycyclobutyl)-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103558995
1-cyclohexyl-4-(2-methylpyrazol-3-yl)butan-2-one
CID 103024333
1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one
CID 62503294
1-bromo-7-(2-methylpyrazol-3-yl)heptan-4-one
CID 106798885
4-ethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103024188
1-(furan-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103007384
4-(2-methylpyrazol-3-yl)-1-(prop-2-enylamino)butan-2-one
CID 103023911
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19618976
1-(2-methylpyrazol-3-yl)-4-methylsulfonylpentan-3-one
CID 103024265
5-amino-4,4,5-trimethyl-1-(2-methylpyrazol-3-yl)hexan-3-one
CID 103023752
1-(2,2-difluoroethoxy)-5-(2-methylpyrazol-3-yl)pentan-3-one
CID 103147232

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one (CID 103007359) is 1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one is Cc1ccc(CC(=O)CCc2ccnn2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one?
The InChIKey is WILCLLUCIDKQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12-3-5-13(6-4-12)11-15(18)8-7-14-9-10-16-17(14)2/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one?
1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(2-methylpyrazol-3-yl)butan-2-one is sourced from PubChem (CID 103007359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).