1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one

C14H14N2O2 — CID 71418103

IUPAC1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one
SMILESCCC(=O)c1cn(-c2ccccc2)nc1C(C)=O
InChIInChI=1S/C14H14N2O2/c1-3-13(18)12-9-16(15-14(12)10(2)17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyVFTDFAVXUFBWKB-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.67
Rot. Bonds4

About 1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one

1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one (PubChem CID 71418103) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one
PubChem CID71418103
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one
SMILESCCC(=O)c1cn(-c2ccccc2)nc1C(C)=O
InChIInChI=1S/C14H14N2O2/c1-3-13(18)12-9-16(15-14(12)10(2)17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyVFTDFAVXUFBWKB-UHFFFAOYSA-N
XLogP2.67
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-acetyl-1-phenylpyrazol-4-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one (CID 71418103) is 1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one is CCC(=O)c1cn(-c2ccccc2)nc1C(C)=O.
What is the InChIKey of 1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one?
The InChIKey is VFTDFAVXUFBWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-13(18)12-9-16(15-14(12)10(2)17)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of 1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one?
1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one has a molecular weight of 242.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 71418103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).