1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one

C14H16N2O — CID 103133838

IUPAC1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccn(C)n1)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-3-12(11-7-5-4-6-8-11)14(17)13-9-10-16(2)15-13/h4-10,12H,3H2,1-2H3
InChIKeyFOWZFWCGOLJTLK-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.80
Rot. Bonds4

About 1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one

1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one (PubChem CID 103133838) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one
PubChem CID103133838
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)c1ccn(C)n1)c1ccccc1
InChIInChI=1S/C14H16N2O/c1-3-12(11-7-5-4-6-8-11)14(17)13-9-10-16(2)15-13/h4-10,12H,3H2,1-2H3
InChIKeyFOWZFWCGOLJTLK-UHFFFAOYSA-N
XLogP2.80
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-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-phenyl-1-pyrazin-2-ylbutan-1-one
CID 114973044
2-amino-1-(1-methylpyrazol-3-yl)-3-phenylpropan-1-one
CID 103132973
4-(1-methylpyrazole-3-carbonyl)heptane-3,5-dione
CID 107431184
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
1-(2-methylpyrazol-3-yl)-2-phenylbutan-1-one
CID 114972525
2-ethoxy-1-(1-methylpyrazol-3-yl)propan-1-one
CID 103130398
1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one
CID 114972994
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
3-[(1-methylpyrazol-3-yl)methylamino]-2-phenylpropanoic acid
CID 82881676
2-[(1-methylpyrazole-3-carbonyl)amino]-3-phenylpropanoic acid
CID 103116341
(2R)-2-phenylbutanamide
CID 139147476

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one (CID 103133838) is 1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one is CCC(C(=O)c1ccn(C)n1)c1ccccc1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one?
The InChIKey is FOWZFWCGOLJTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-3-12(11-7-5-4-6-8-11)14(17)13-9-10-16(2)15-13/h4-10,12H,3H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one?
1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one has a molecular weight of 228.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-2-phenylbutan-1-one is sourced from PubChem (CID 103133838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).