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

C8H11F3N2 — CID 14770658

IUPAC3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)n(C(C)C)n1
InChIInChI=1S/C8H11F3N2/c1-5(2)13-7(8(9,10)11)4-6(3)12-13/h4-5H,1-3H3
InChIKeyFCOVWHUANKYKPT-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.79
Rot. Bonds1

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

3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole (PubChem CID 14770658) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
PubChem CID14770658
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole
SMILESCc1cc(C(F)(F)F)n(C(C)C)n1
InChIInChI=1S/C8H11F3N2/c1-5(2)13-7(8(9,10)11)4-6(3)12-13/h4-5H,1-3H3
InChIKeyFCOVWHUANKYKPT-UHFFFAOYSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 96393
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CID 25930
2-(3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 1091687
3-(3,5-Dimethyl-1H-pyrazol-1-yl)propan-1-amine
CID 2056783
1,3,5-Trimethylpyrazole
CID 14081
1,2-Bis(3,5-dimethylpyrazol-1-yl)ethane
CID 661322
(1,5-dimethyl-1H-pyrazol-3-yl)methanamine
CID 2776367
3,5-dimethyl-1-octyl-1H-pyrazole
CID 573081
1,5-Dimethyl-3-(trifluoromethyl)pyrazole
CID 12747525
1,1'-(2-butene-1,4-diyl)bis(3,5-dimethyl-1H-pyrazole)
CID 2055740
1-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-amine
CID 6483889

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole (CID 14770658) is 3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole is Cc1cc(C(F)(F)F)n(C(C)C)n1.
What is the InChIKey of 3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
The InChIKey is FCOVWHUANKYKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5(2)13-7(8(9,10)11)4-6(3)12-13/h4-5H,1-3H3.
What are the key properties of 3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole?
3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 14770658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).