1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole

C8H9F5N2 — CID 177049933

IUPAC1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)n(C(F)F)n1
InChIInChI=1S/C8H9F5N2/c1-4(2)5-3-6(8(11,12)13)15(14-5)7(9)10/h3-4,7H,1-2H3
InChIKeyQSZBHKCNCHBKRU-UHFFFAOYSA-N
MW228.16 g/mol
LogP3.42
Rot. Bonds2

About 1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole

1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole (PubChem CID 177049933) has the molecular formula C8H9F5N2 and a molecular weight of 228.16 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole
PubChem CID177049933
Molecular FormulaC8H9F5N2
Molecular Weight228.16 g/mol
Exact Mass228.07
IUPAC Name1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCC(C)c1cc(C(F)(F)F)n(C(F)F)n1
InChIInChI=1S/C8H9F5N2/c1-4(2)5-3-6(8(11,12)13)15(14-5)7(9)10/h3-4,7H,1-2H3
InChIKeyQSZBHKCNCHBKRU-UHFFFAOYSA-N
XLogP3.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.16
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethyl)-5-propan-2-ylpyrazol-3-amine
CID 169166896
1-butan-2-yl-5-(trifluoromethyl)pyrazole-3-carbaldehyde
CID 139675413
5-chloro-1,3-di(propan-2-yl)pyrazole
CID 66020569
5-chloro-3-(difluoromethyl)-1-(3,3-dimethylbutan-2-yl)pyrazole
CID 130820038
1-propan-2-yl-5-(trifluoromethyl)pyrazole
CID 88996341
5-propan-2-yl-2-[(2R)-1-(thian-4-yl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 92580974
[1,3-di(propan-2-yl)pyrazol-5-yl]methanol
CID 167336895
2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine
CID 59664272
(2R)-2-[3,5-bis(difluoromethyl)pyrazol-1-yl]propanoic acid
CID 7018497
dimethyl 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]propanedioate
CID 59392401
3-fluoro-1-methyl-5-(trifluoromethyl)pyrazole
CID 59173012
4-(5-tert-butyl-3-propan-2-ylpyrazol-1-yl)-1-(2,2-difluoroethyl)piperidine
CID 157041564

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole (CID 177049933) is 1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole is CC(C)c1cc(C(F)(F)F)n(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole?
The InChIKey is QSZBHKCNCHBKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F5N2/c1-4(2)5-3-6(8(11,12)13)15(14-5)7(9)10/h3-4,7H,1-2H3.
What are the key properties of 1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole?
1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole has a molecular weight of 228.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-propan-2-yl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 177049933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).