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

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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).