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

C8H9F3N2 — CID 146515724

IUPAC1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cnn(C2CC2)c1C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-5-4-12-13(6-2-3-6)7(5)8(9,10)11/h4,6H,2-3H2,1H3
InChIKeyBEMPBBGDYRUUFB-UHFFFAOYSA-N
MW190.17 g/mol
LogP2.55
Rot. Bonds1

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

1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 146515724) has the molecular formula C8H9F3N2 and a molecular weight of 190.17 g/mol. Its IUPAC name is 1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole
PubChem CID146515724
Molecular FormulaC8H9F3N2
Molecular Weight190.17 g/mol
Exact Mass190.07
IUPAC Name1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole
SMILESCc1cnn(C2CC2)c1C(F)(F)F
InChIInChI=1S/C8H9F3N2/c1-5-4-12-13(6-2-3-6)7(5)8(9,10)11/h4,6H,2-3H2,1H3
InChIKeyBEMPBBGDYRUUFB-UHFFFAOYSA-N
XLogP2.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Related Compounds

1-cyclobutyl-4-methyl-5-(trifluoromethyl)pyrazole
CID 176717597
1-(4,4-dimethylcyclohexyl)-4-methyl-5-(trifluoromethyl)pyrazole
CID 144911080
1-cyclopropyl-5-(trifluoromethyl)pyrazol-4-amine
CID 126971873
1-cyclopropyl-4,5-dimethylpyrazole;ethane
CID 167523032
4-tert-butyl-1-cyclohexyl-5-(trifluoromethyl)pyrazole
CID 58504365
4-(bromomethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole
CID 66438820
4-(chloromethyl)-1-cyclopentyl-5-(trifluoromethyl)pyrazole
CID 66438386
[1-cyclohexyl-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 66437907
4-(chloromethyl)-1-cyclohexyl-5-(trifluoromethyl)pyrazole
CID 66439251
4-methyl-1-(4-methylcyclohexyl)pyrazol-5-amine
CID 43148156
N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441946
benzyl 1-(4-ethoxycarbonylcyclohexyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 118383601

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole (CID 146515724) is 1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole is Cc1cnn(C2CC2)c1C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is BEMPBBGDYRUUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2/c1-5-4-12-13(6-2-3-6)7(5)8(9,10)11/h4,6H,2-3H2,1H3.
What are the key properties of 1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole?
1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 190.17 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 146515724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).