1-methyl-5-propyl-3-(trifluoromethyl)pyrazole

C8H11F3N2 — CID 116861938

IUPAC1-methyl-5-propyl-3-(trifluoromethyl)pyrazole
SMILESCCCc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C8H11F3N2/c1-3-4-6-5-7(8(9,10)11)12-13(6)2/h5H,3-4H2,1-2H3
InChIKeyBFOKHFWHLQEXEO-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.39
Rot. Bonds2

About 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole

1-methyl-5-propyl-3-(trifluoromethyl)pyrazole (PubChem CID 116861938) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-propyl-3-(trifluoromethyl)pyrazole
PubChem CID116861938
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name1-methyl-5-propyl-3-(trifluoromethyl)pyrazole
SMILESCCCc1cc(C(F)(F)F)nn1C
InChIInChI=1S/C8H11F3N2/c1-3-4-6-5-7(8(9,10)11)12-13(6)2/h5H,3-4H2,1-2H3
InChIKeyBFOKHFWHLQEXEO-UHFFFAOYSA-N
XLogP2.39
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole (CID 116861938) is 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole is CCCc1cc(C(F)(F)F)nn1C.
What is the InChIKey of 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole?
The InChIKey is BFOKHFWHLQEXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-3-4-6-5-7(8(9,10)11)12-13(6)2/h5H,3-4H2,1-2H3.
What are the key properties of 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole?
1-methyl-5-propyl-3-(trifluoromethyl)pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-propyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 116861938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).