2-(4-bromopyrazol-1-yl)-3-methylbutanamide

C8H12BrN3O — CID 130748543

IUPAC2-(4-bromopyrazol-1-yl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)n1cc(Br)cn1
InChIInChI=1S/C8H12BrN3O/c1-5(2)7(8(10)13)12-4-6(9)3-11-12/h3-5,7H,1-2H3,(H2,10,13)
InChIKeyBZTNFOMGBZQRSL-UHFFFAOYSA-N
MW246.11 g/mol
LogP1.33
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-3-methylbutanamide

2-(4-bromopyrazol-1-yl)-3-methylbutanamide (PubChem CID 130748543) has the molecular formula C8H12BrN3O and a molecular weight of 246.11 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-3-methylbutanamide
PubChem CID130748543
Molecular FormulaC8H12BrN3O
Molecular Weight246.11 g/mol
Exact Mass245.02
IUPAC Name2-(4-bromopyrazol-1-yl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)n1cc(Br)cn1
InChIInChI=1S/C8H12BrN3O/c1-5(2)7(8(10)13)12-4-6(9)3-11-12/h3-5,7H,1-2H3,(H2,10,13)
InChIKeyBZTNFOMGBZQRSL-UHFFFAOYSA-N
XLogP1.33
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.11
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-1H-pyrazol-1-yl)-N-cyclopropyl-N-methylacetamide
CID 60582948
2-(4-bromo-1H-pyrazol-1-yl)-N,N-dimethylacetamide
CID 50988940
2-(4-Bromo-1H-pyrazol-1-yl)-N-propylpropanamide
CID 19537573
2-(4-bromopyrazol-1-yl)-N-(2-methoxyethyl)propanamide
CID 19537684
2-(4-bromopyrazol-1-yl)-N-(3-methoxypropyl)propanamide
CID 19537733
2-(4-bromopyrazol-1-yl)-N-(3-ethoxypropyl)propanamide
CID 19537734
2-(4-bromopyrazol-1-yl)-N-[3-(diethylamino)propyl]propanamide
CID 19537737
2-(4-Bromo-1H-pyrazol-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 45153809
3-(4-Bromo-1H-pyrazol-1-yl)propanamide
CID 45791238
2-(4-bromopyrazol-1-yl)-N-cyclopentylacetamide
CID 19524496
2-[2-(4-Methylpyrazol-1-yl)ethylamino]butanamide
CID 53618326
N-[2-[1-(4-bromopyrazol-1-yl)propan-2-ylamino]ethyl]-2,2-dimethylpropanamide
CID 86779530

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-3-methylbutanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-3-methylbutanamide (CID 130748543) is 2-(4-bromopyrazol-1-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-3-methylbutanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-3-methylbutanamide is CC(C)C(C(N)=O)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-3-methylbutanamide?
The InChIKey is BZTNFOMGBZQRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O/c1-5(2)7(8(10)13)12-4-6(9)3-11-12/h3-5,7H,1-2H3,(H2,10,13).
What are the key properties of 2-(4-bromopyrazol-1-yl)-3-methylbutanamide?
2-(4-bromopyrazol-1-yl)-3-methylbutanamide has a molecular weight of 246.11 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-3-methylbutanamide is sourced from PubChem (CID 130748543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).