1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one

C12H13F3N4O — CID 19575651

IUPAC1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
SMILESCc1cnn(C(=O)C(C)n2nc(C(F)(F)F)cc2C)c1
InChIInChI=1S/C12H13F3N4O/c1-7-5-16-18(6-7)11(20)9(3)19-8(2)4-10(17-19)12(13,14)15/h4-6,9H,1-3H3
InChIKeyNHBOJSAZFUPVRV-UHFFFAOYSA-N
MW286.26 g/mol
LogP2.62
Rot. Bonds2

About 1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one

1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one (PubChem CID 19575651) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
PubChem CID19575651
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
SMILESCc1cnn(C(=O)C(C)n2nc(C(F)(F)F)cc2C)c1
InChIInChI=1S/C12H13F3N4O/c1-7-5-16-18(6-7)11(20)9(3)19-8(2)4-10(17-19)12(13,14)15/h4-6,9H,1-3H3
InChIKeyNHBOJSAZFUPVRV-UHFFFAOYSA-N
XLogP2.62
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-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

Related Compounds

1,2-Bis(3,5-dimethylpyrazol-1-yl)ethanone
CID 658280
1-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}-3,5-dimethyl-1H-pyrazole
CID 844732
N'-[(E)-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylidene]-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6889397
5-methyl-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-3-(trifluoromethyl)-1H-pyrazole
CID 813457
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4770341
2-(4-Iodo-3,5-dimethylpyrazolyl)-1-pyrazolylethan-1-one
CID 1511691
N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 4772979
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
CID 17020976
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531231
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19575300
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 53623406
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 56781749

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one?
The IUPAC name of 1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one (CID 19575651) is 1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one?
The canonical SMILES for 1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one is Cc1cnn(C(=O)C(C)n2nc(C(F)(F)F)cc2C)c1.
What is the InChIKey of 1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one?
The InChIKey is NHBOJSAZFUPVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-7-5-16-18(6-7)11(20)9(3)19-8(2)4-10(17-19)12(13,14)15/h4-6,9H,1-3H3.
What are the key properties of 1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one?
1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one has a molecular weight of 286.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrazol-1-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one is sourced from PubChem (CID 19575651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).