3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H14BrF3N4O2 — CID 4771033

IUPAC3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)no1
InChIInChI=1S/C14H14BrF3N4O2/c1-7-6-9(21-24-7)19-10(23)4-5-22-12(8-2-3-8)11(15)13(20-22)14(16,17)18/h6,8H,2-5H2,1H3,(H,19,21,23)
InChIKeyYADKPKUWHUBLRK-UHFFFAOYSA-N
MW407.19 g/mol
LogP3.87
Rot. Bonds5

About 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 4771033) has the molecular formula C14H14BrF3N4O2 and a molecular weight of 407.19 g/mol. Its IUPAC name is 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID4771033
Molecular FormulaC14H14BrF3N4O2
Molecular Weight407.19 g/mol
Exact Mass406.03
IUPAC Name3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)no1
InChIInChI=1S/C14H14BrF3N4O2/c1-7-6-9(21-24-7)19-10(23)4-5-22-12(8-2-3-8)11(15)13(20-22)14(16,17)18/h6,8H,2-5H2,1H3,(H,19,21,23)
InChIKeyYADKPKUWHUBLRK-UHFFFAOYSA-N
XLogP3.87
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 4771033) is 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCn2nc(C(F)(F)F)c(Br)c2C2CC2)no1.
What is the InChIKey of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is YADKPKUWHUBLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF3N4O2/c1-7-6-9(21-24-7)19-10(23)4-5-22-12(8-2-3-8)11(15)13(20-22)14(16,17)18/h6,8H,2-5H2,1H3,(H,19,21,23).
What are the key properties of 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 407.19 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 4771033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).