5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole

C7H6F4N2 — CID 118010494

IUPAC5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole
SMILESFc1c(C(F)(F)F)n[nH]c1C1CC1
InChIInChI=1S/C7H6F4N2/c8-4-5(3-1-2-3)12-13-6(4)7(9,10)11/h3H,1-2H2,(H,12,13)
InChIKeyBVVMGHAFNMMYSC-UHFFFAOYSA-N
MW194.13 g/mol
LogP2.44
Rot. Bonds1

About 5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole

5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 118010494) has the molecular formula C7H6F4N2 and a molecular weight of 194.13 g/mol. Its IUPAC name is 5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole
PubChem CID118010494
Molecular FormulaC7H6F4N2
Molecular Weight194.13 g/mol
Exact Mass194.05
IUPAC Name5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole
SMILESFc1c(C(F)(F)F)n[nH]c1C1CC1
InChIInChI=1S/C7H6F4N2/c8-4-5(3-1-2-3)12-13-6(4)7(9,10)11/h3H,1-2H2,(H,12,13)
InChIKeyBVVMGHAFNMMYSC-UHFFFAOYSA-N
XLogP2.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole (CID 118010494) is 5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole is Fc1c(C(F)(F)F)n[nH]c1C1CC1.
What is the InChIKey of 5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is BVVMGHAFNMMYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2/c8-4-5(3-1-2-3)12-13-6(4)7(9,10)11/h3H,1-2H2,(H,12,13).
What are the key properties of 5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole?
5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 194.13 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 118010494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).