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

C7H6BrF3N2 — CID 118798443

IUPAC4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C7H6BrF3N2/c8-4-5(3-1-2-3)12-13-6(4)7(9,10)11/h3H,1-2H2,(H,12,13)
InChIKeyASNRMLCPPUFBJH-UHFFFAOYSA-N
MW255.04 g/mol
LogP3.07
Rot. Bonds1

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

4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole (PubChem CID 118798443) has the molecular formula C7H6BrF3N2 and a molecular weight of 255.04 g/mol. Its IUPAC name is 4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
PubChem CID118798443
Molecular FormulaC7H6BrF3N2
Molecular Weight255.04 g/mol
Exact Mass253.97
IUPAC Name4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1n[nH]c(C2CC2)c1Br
InChIInChI=1S/C7H6BrF3N2/c8-4-5(3-1-2-3)12-13-6(4)7(9,10)11/h3H,1-2H2,(H,12,13)
InChIKeyASNRMLCPPUFBJH-UHFFFAOYSA-N
XLogP3.07
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.04
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-bromo-5-cyclopropyl-3-(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

Related Compounds

5-cyclopropyl-3-(difluoromethyl)-1H-pyrazole
CID 7147403
5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
CID 7147438
4-Bromo-3-(heptafluoropropyl)-5-methyl-1H-pyrazole
CID 12770299
4-Bromo-3-methyl-5-(trifluoromethyl)pyrazole
CID 2736430
4-bromo-3,5-diethyl-1H-pyrazole
CID 21536679
4-bromo-3,5-bis(difluoromethyl)-1H-pyrazole
CID 7172340
4-bromo-5-ethyl-3-(trifluoromethyl)-1H-pyrazole
CID 51358344
4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole
CID 57840171
4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazole
CID 66887155
5-cyclopropyl-4-fluoro-3-(trifluoromethyl)-1H-pyrazole
CID 118010494
3-cyclopropyl-4-fluoro-5-methyl-1H-pyrazole
CID 118271237
5-cyclopropyl-3-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 118271254

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole (CID 118798443) is 4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1n[nH]c(C2CC2)c1Br.
What is the InChIKey of 4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole?
The InChIKey is ASNRMLCPPUFBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF3N2/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 4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole?
4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole has a molecular weight of 255.04 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 118798443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).