2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide

C7H10BrN3O — CID 50988940

IUPAC2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(Br)cn1
InChIInChI=1S/C7H10BrN3O/c1-10(2)7(12)5-11-4-6(8)3-9-11/h3-4H,5H2,1-2H3
InChIKeyYFVQBJPNNRSACN-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.73
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide

2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide (PubChem CID 50988940) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide
PubChem CID50988940
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cc(Br)cn1
InChIInChI=1S/C7H10BrN3O/c1-10(2)7(12)5-11-4-6(8)3-9-11/h3-4H,5H2,1-2H3
InChIKeyYFVQBJPNNRSACN-UHFFFAOYSA-N
XLogP0.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.73
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,N-dimethylacetamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide (CID 50988940) is 2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide?
The InChIKey is YFVQBJPNNRSACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-10(2)7(12)5-11-4-6(8)3-9-11/h3-4H,5H2,1-2H3.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide?
2-(4-bromopyrazol-1-yl)-N,N-dimethylacetamide has a molecular weight of 232.08 g/mol, XLogP of 0.73, 2 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,N-dimethylacetamide is sourced from PubChem (CID 50988940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).