4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole

C10H13BrF3N3 — CID 70851935

IUPAC4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)c(Br)c1C1CCCN1
InChIInChI=1S/C10H13BrF3N3/c1-2-17-8(6-4-3-5-15-6)7(11)9(16-17)10(12,13)14/h6,15H,2-5H2,1H3
InChIKeyBFLBWCOBDAKMMB-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.11
Rot. Bonds2

About 4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole

4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole (PubChem CID 70851935) has the molecular formula C10H13BrF3N3 and a molecular weight of 312.13 g/mol. Its IUPAC name is 4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
PubChem CID70851935
Molecular FormulaC10H13BrF3N3
Molecular Weight312.13 g/mol
Exact Mass311.02
IUPAC Name4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
SMILESCCn1nc(C(F)(F)F)c(Br)c1C1CCCN1
InChIInChI=1S/C10H13BrF3N3/c1-2-17-8(6-4-3-5-15-6)7(11)9(16-17)10(12,13)14/h6,15H,2-5H2,1H3
InChIKeyBFLBWCOBDAKMMB-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole (CID 70851935) is 4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole is CCn1nc(C(F)(F)F)c(Br)c1C1CCCN1.
What is the InChIKey of 4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole?
The InChIKey is BFLBWCOBDAKMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3/c1-2-17-8(6-4-3-5-15-6)7(11)9(16-17)10(12,13)14/h6,15H,2-5H2,1H3.
What are the key properties of 4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole?
4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole has a molecular weight of 312.13 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 70851935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).