2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one

C11H10ClF3N4O — CID 4770294

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)n1cccn1
InChIInChI=1S/C11H10ClF3N4O/c1-6-8(12)9(11(13,14)15)17-19(6)7(2)10(20)18-5-3-4-16-18/h3-5,7H,1-2H3
InChIKeySNHFGASSSZAJAY-UHFFFAOYSA-N
MW306.68 g/mol
LogP2.96
Rot. Bonds2

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one (PubChem CID 4770294) has the molecular formula C11H10ClF3N4O and a molecular weight of 306.68 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one
PubChem CID4770294
Molecular FormulaC11H10ClF3N4O
Molecular Weight306.68 g/mol
Exact Mass306.05
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)n1cccn1
InChIInChI=1S/C11H10ClF3N4O/c1-6-8(12)9(11(13,14)15)17-19(6)7(2)10(20)18-5-3-4-16-18/h3-5,7H,1-2H3
InChIKeySNHFGASSSZAJAY-UHFFFAOYSA-N
XLogP2.96
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.68
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 6499812
1-{[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]acetyl}-3,5-dimethyl-1H-pyrazole
CID 844732
2-(4-Iodo-3,5-dimethylpyrazolyl)-1-pyrazolylethan-1-one
CID 1511691
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylacetamide
CID 19531231
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 53621017
2-(4-Chloro-3,5-dimethylpyrazol-1-yl)-1-[2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 56778912
(4-Chloro-1-ethyl-3-methylpyrazol-5-yl)-pyrazol-1-ylmethanone
CID 90186074
(4-Chloro-1,3-dimethylpyrazol-5-yl)-pyrazol-1-ylmethanone
CID 139236858
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770455
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770780
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4771328
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4772550

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one (CID 4770294) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)n1cccn1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one?
The InChIKey is SNHFGASSSZAJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O/c1-6-8(12)9(11(13,14)15)17-19(6)7(2)10(20)18-5-3-4-16-18/h3-5,7H,1-2H3.
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one has a molecular weight of 306.68 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-1-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 4770294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).