1-butyl-3-(trifluoromethyl)pyrazole

C8H11F3N2 — CID 66014938

IUPAC1-butyl-3-(trifluoromethyl)pyrazole
SMILESCCCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2/c1-2-3-5-13-6-4-7(12-13)8(9,10)11/h4,6H,2-3,5H2,1H3
InChIKeyBOHNJAUMOOXBJP-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.70
Rot. Bonds3

About 1-butyl-3-(trifluoromethyl)pyrazole

1-butyl-3-(trifluoromethyl)pyrazole (PubChem CID 66014938) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-butyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-butyl-3-(trifluoromethyl)pyrazole
PubChem CID66014938
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1-butyl-3-(trifluoromethyl)pyrazole
SMILESCCCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H11F3N2/c1-2-3-5-13-6-4-7(12-13)8(9,10)11/h4,6H,2-3,5H2,1H3
InChIKeyBOHNJAUMOOXBJP-UHFFFAOYSA-N
XLogP2.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
(1-Methyl-1H-pyrazol-5-yl)methanamine
CID 7019421
1,5-Dimethylpyrazole
CID 136502
N-Hydroxymethyl-3-methylpyrazole
CID 127159
1-(2-Chloroethyl)-3-methyl-1H-pyrazole
CID 13764853
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
1-Methyl-1H-pyrazole-3-carbonitrile
CID 12747510
3-Ethenyl-1,2-dimethylpyrazol-1-ium
CID 170067118
1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
3-ethynyl-1-methyl-1H-pyrazole
CID 12298391
3-(Chloromethyl)-1-methyl-1H-pyrazole hydrochloride
CID 12845049

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-butyl-3-(trifluoromethyl)pyrazole (CID 66014938) is 1-butyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-butyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-butyl-3-(trifluoromethyl)pyrazole is CCCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 1-butyl-3-(trifluoromethyl)pyrazole?
The InChIKey is BOHNJAUMOOXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-2-3-5-13-6-4-7(12-13)8(9,10)11/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-butyl-3-(trifluoromethyl)pyrazole?
1-butyl-3-(trifluoromethyl)pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 66014938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).