2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide

C9H12BrN3O — CID 60582948

IUPAC2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cc(Br)cn1)C1CC1
InChIInChI=1S/C9H12BrN3O/c1-12(8-2-3-8)9(14)6-13-5-7(10)4-11-13/h4-5,8H,2-3,6H2,1H3
InChIKeyWFHPYRQFVJBTSS-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.27
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide

2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide (PubChem CID 60582948) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide
PubChem CID60582948
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide
SMILESCN(C(=O)Cn1cc(Br)cn1)C1CC1
InChIInChI=1S/C9H12BrN3O/c1-12(8-2-3-8)9(14)6-13-5-7(10)4-11-13/h4-5,8H,2-3,6H2,1H3
InChIKeyWFHPYRQFVJBTSS-UHFFFAOYSA-N
XLogP1.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide (CID 60582948) is 2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide is CN(C(=O)Cn1cc(Br)cn1)C1CC1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide?
The InChIKey is WFHPYRQFVJBTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-12(8-2-3-8)9(14)6-13-5-7(10)4-11-13/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide?
2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide has a molecular weight of 258.12 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-cyclopropyl-N-methylacetamide is sourced from PubChem (CID 60582948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).