4-butyl-5-(trifluoromethyl)-1H-pyrazole

C8H11F3N2 — CID 54363351

IUPAC4-butyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCCCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-2-3-4-6-5-12-13-7(6)8(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyUOAVSIBFPRMYMF-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.77
Rot. Bonds3

About 4-butyl-5-(trifluoromethyl)-1H-pyrazole

4-butyl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 54363351) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 4-butyl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-butyl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID54363351
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name4-butyl-5-(trifluoromethyl)-1H-pyrazole
SMILESCCCCc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-2-3-4-6-5-12-13-7(6)8(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyUOAVSIBFPRMYMF-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-butyl-5-(trifluoromethyl)-1H-pyrazole (CID 54363351) is 4-butyl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-butyl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-butyl-5-(trifluoromethyl)-1H-pyrazole is CCCCc1cn[nH]c1C(F)(F)F.
What is the InChIKey of 4-butyl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is UOAVSIBFPRMYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-2-3-4-6-5-12-13-7(6)8(9,10)11/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 4-butyl-5-(trifluoromethyl)-1H-pyrazole?
4-butyl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 192.18 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 54363351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).