5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole

C7H7F5N2 — CID 170379612

IUPAC5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1cnn(CC(F)(F)F)c1C(F)F
InChIInChI=1S/C7H7F5N2/c1-4-2-13-14(3-7(10,11)12)5(4)6(8)9/h2,6H,3H2,1H3
InChIKeyLNWMJTAWHKZSKP-UHFFFAOYSA-N
MW214.14 g/mol
LogP2.69
Rot. Bonds2

About 5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole

5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole (PubChem CID 170379612) has the molecular formula C7H7F5N2 and a molecular weight of 214.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
PubChem CID170379612
Molecular FormulaC7H7F5N2
Molecular Weight214.14 g/mol
Exact Mass214.05
IUPAC Name5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole
SMILESCc1cnn(CC(F)(F)F)c1C(F)F
InChIInChI=1S/C7H7F5N2/c1-4-2-13-14(3-7(10,11)12)5(4)6(8)9/h2,6H,3H2,1H3
InChIKeyLNWMJTAWHKZSKP-UHFFFAOYSA-N
XLogP2.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane
CID 169218060
(1R)-1-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]ethanamine
CID 59544188
4-tert-butyl-5-methyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 58157500
5-chloro-4-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrazole
CID 176763523
4,5-ditert-butyl-1-(2,2,2-trifluoroethyl)pyrazole
CID 154613482
1-(1,4-dimethylpyrazol-5-yl)-2,2-difluoropropan-1-ol
CID 131119422
1,4-dimethyl-5-(2,2,2-trifluoroethyl)pyrazole
CID 155594891
1-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazole
CID 83414722
ethane;1-ethyl-5-fluoro-4-methylpyrazole
CID 169218374
1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 59215135
1-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)pyrazole-4-carbaldehyde
CID 139674988
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114442151

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The IUPAC name of 5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole (CID 170379612) is 5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole.
What is the SMILES notation for 5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The canonical SMILES for 5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole is Cc1cnn(CC(F)(F)F)c1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
The InChIKey is LNWMJTAWHKZSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F5N2/c1-4-2-13-14(3-7(10,11)12)5(4)6(8)9/h2,6H,3H2,1H3.
What are the key properties of 5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole?
5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole has a molecular weight of 214.14 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-methyl-1-(2,2,2-trifluoroethyl)pyrazole is sourced from PubChem (CID 170379612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).