2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C7H7BrF3N3O2 — CID 178084541

IUPAC2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1c(Br)c(C(F)(F)F)nn1CC(N)=O
InChIInChI=1S/C7H7BrF3N3O2/c1-16-6-4(8)5(7(9,10)11)13-14(6)2-3(12)15/h2H2,1H3,(H2,12,15)
InChIKeyAXVFLKROTXCDEM-UHFFFAOYSA-N
MW302.05 g/mol
LogP1.16
Rot. Bonds3

About 2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide

2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 178084541) has the molecular formula C7H7BrF3N3O2 and a molecular weight of 302.05 g/mol. Its IUPAC name is 2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID178084541
Molecular FormulaC7H7BrF3N3O2
Molecular Weight302.05 g/mol
Exact Mass300.97
IUPAC Name2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCOc1c(Br)c(C(F)(F)F)nn1CC(N)=O
InChIInChI=1S/C7H7BrF3N3O2/c1-16-6-4(8)5(7(9,10)11)13-14(6)2-3(12)15/h2H2,1H3,(H2,12,15)
InChIKeyAXVFLKROTXCDEM-UHFFFAOYSA-N
XLogP1.16
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.05
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 178084541) is 2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide is COc1c(Br)c(C(F)(F)F)nn1CC(N)=O.
What is the InChIKey of 2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is AXVFLKROTXCDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF3N3O2/c1-16-6-4(8)5(7(9,10)11)13-14(6)2-3(12)15/h2H2,1H3,(H2,12,15).
What are the key properties of 2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 302.05 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methoxy-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 178084541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).