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

C8H9F3N2 — CID 118271254

IUPAC3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(C2CC2)c1C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-4-6(8(9,10)11)7(13-12-4)5-2-3-5/h5H,2-3H2,1H3,(H,12,13)
InChIKeyLDZBCXCCWLIBKB-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.61
Rot. Bonds1

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

3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole (PubChem CID 118271254) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole
PubChem CID118271254
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole
SMILESCc1[nH]nc(C2CC2)c1C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-4-6(8(9,10)11)7(13-12-4)5-2-3-5/h5H,2-3H2,1H3,(H,12,13)
InChIKeyLDZBCXCCWLIBKB-UHFFFAOYSA-N
XLogP2.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole (CID 118271254) is 3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole is Cc1[nH]nc(C2CC2)c1C(F)(F)F.
What is the InChIKey of 3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole?
The InChIKey is LDZBCXCCWLIBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-4-6(8(9,10)11)7(13-12-4)5-2-3-5/h5H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole?
3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole has a molecular weight of 190.17 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-methyl-4-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 118271254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).