1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one

C8H12N2O — CID 16762491

IUPAC1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one
SMILESCC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C8H12N2O/c1-5(11)4-8-6(2)9-10-7(8)3/h4H2,1-3H3,(H,9,10)
InChIKeyRLNUZSMCJBZMAT-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.16
Rot. Bonds2

About 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one

1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one (PubChem CID 16762491) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one
PubChem CID16762491
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one
SMILESCC(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C8H12N2O/c1-5(11)4-8-6(2)9-10-7(8)3/h4H2,1-3H3,(H,9,10)
InChIKeyRLNUZSMCJBZMAT-UHFFFAOYSA-N
XLogP1.16
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one?
The IUPAC name of 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one (CID 16762491) is 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one.
What is the SMILES notation for 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one?
The canonical SMILES for 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one is CC(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one?
The InChIKey is RLNUZSMCJBZMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5(11)4-8-6(2)9-10-7(8)3/h4H2,1-3H3,(H,9,10).
What are the key properties of 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one?
1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1H-pyrazol-4-yl)propan-2-one is sourced from PubChem (CID 16762491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).