4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C11H13BrF3N3O — CID 19480901

IUPAC4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Br)c1C(=O)NC1CCCC1
InChIInChI=1S/C11H13BrF3N3O/c1-18-8(7(12)9(17-18)11(13,14)15)10(19)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,19)
InChIKeyFSVBQJWAOWJWLJ-UHFFFAOYSA-N
MW340.14 g/mol
LogP2.87
Rot. Bonds2

About 4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 19480901) has the molecular formula C11H13BrF3N3O and a molecular weight of 340.14 g/mol. Its IUPAC name is 4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID19480901
Molecular FormulaC11H13BrF3N3O
Molecular Weight340.14 g/mol
Exact Mass339.02
IUPAC Name4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)c(Br)c1C(=O)NC1CCCC1
InChIInChI=1S/C11H13BrF3N3O/c1-18-8(7(12)9(17-18)11(13,14)15)10(19)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,19)
InChIKeyFSVBQJWAOWJWLJ-UHFFFAOYSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 19480901) is 4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)c(Br)c1C(=O)NC1CCCC1.
What is the InChIKey of 4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is FSVBQJWAOWJWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3N3O/c1-18-8(7(12)9(17-18)11(13,14)15)10(19)16-6-4-2-3-5-6/h6H,2-5H2,1H3,(H,16,19).
What are the key properties of 4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 340.14 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopentyl-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19480901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).