2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide

C13H17BrF3N3O — CID 19532808

IUPAC2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1nc(C(F)(F)F)c(Br)c1C1CC1
InChIInChI=1S/C13H17BrF3N3O/c1-6(2)18-12(21)7(3)20-10(8-4-5-8)9(14)11(19-20)13(15,16)17/h6-8H,4-5H2,1-3H3,(H,18,21)
InChIKeyUAIKPGXVGDMKMZ-UHFFFAOYSA-N
MW368.20 g/mol
LogP3.63
Rot. Bonds4

About 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide

2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide (PubChem CID 19532808) has the molecular formula C13H17BrF3N3O and a molecular weight of 368.20 g/mol. Its IUPAC name is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide
PubChem CID19532808
Molecular FormulaC13H17BrF3N3O
Molecular Weight368.20 g/mol
Exact Mass367.05
IUPAC Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1nc(C(F)(F)F)c(Br)c1C1CC1
InChIInChI=1S/C13H17BrF3N3O/c1-6(2)18-12(21)7(3)20-10(8-4-5-8)9(14)11(19-20)13(15,16)17/h6-8H,4-5H2,1-3H3,(H,18,21)
InChIKeyUAIKPGXVGDMKMZ-UHFFFAOYSA-N
XLogP3.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide (CID 19532808) is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)n1nc(C(F)(F)F)c(Br)c1C1CC1.
What is the InChIKey of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is UAIKPGXVGDMKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrF3N3O/c1-6(2)18-12(21)7(3)20-10(8-4-5-8)9(14)11(19-20)13(15,16)17/h6-8H,4-5H2,1-3H3,(H,18,21).
What are the key properties of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide?
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 368.20 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 19532808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).