1-(4-bromopyrazol-1-yl)propan-2-one

C6H7BrN2O — CID 19576908

IUPAC1-(4-bromopyrazol-1-yl)propan-2-one
SMILESCC(=O)Cn1cc(Br)cn1
InChIInChI=1S/C6H7BrN2O/c1-5(10)3-9-4-6(7)2-8-9/h2,4H,3H2,1H3
InChIKeyOMJZQGSHLIJGAR-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.23
Rot. Bonds2

About 1-(4-bromopyrazol-1-yl)propan-2-one

1-(4-bromopyrazol-1-yl)propan-2-one (PubChem CID 19576908) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 1-(4-bromopyrazol-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(4-bromopyrazol-1-yl)propan-2-one
PubChem CID19576908
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name1-(4-bromopyrazol-1-yl)propan-2-one
SMILESCC(=O)Cn1cc(Br)cn1
InChIInChI=1S/C6H7BrN2O/c1-5(10)3-9-4-6(7)2-8-9/h2,4H,3H2,1H3
InChIKeyOMJZQGSHLIJGAR-UHFFFAOYSA-N
XLogP1.23
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-1-(2-methoxyethyl)-1H-pyrazole
CID 23247855
1H-Pyrazole, 4-bromo-1-methyl-
CID 167433
2-(4-bromo-1H-pyrazol-1-yl)acetic acid
CID 17024755
1-(4-bromo-1H-pyrazol-1-yl)-2-methylpropan-2-ol
CID 61035424
1-(ethoxyethyl)-4-bromo-1H-pyrazole
CID 4640410
1-(1H-pyrazol-1-yl)propan-2-one
CID 5155003
4-Bromo-1-ethyl-1H-pyrazole
CID 12565201
4-Bromo-1-propyl-1H-pyrazole
CID 21859707
4-bromo-1-(3-methoxypropyl)-1H-pyrazole
CID 50989302
4-Bromo-1-(2-bromoethyl)-1H-pyrazole
CID 4712269
ethyl 2-(4-bromo-1H-pyrazol-1-yl)acetate
CID 7017475
2-(4-Bromo-1H-pyrazol-1-yl)propanoic acid
CID 16640640

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromopyrazol-1-yl)propan-2-one?
The IUPAC name of 1-(4-bromopyrazol-1-yl)propan-2-one (CID 19576908) is 1-(4-bromopyrazol-1-yl)propan-2-one.
What is the SMILES notation for 1-(4-bromopyrazol-1-yl)propan-2-one?
The canonical SMILES for 1-(4-bromopyrazol-1-yl)propan-2-one is CC(=O)Cn1cc(Br)cn1.
What is the InChIKey of 1-(4-bromopyrazol-1-yl)propan-2-one?
The InChIKey is OMJZQGSHLIJGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-5(10)3-9-4-6(7)2-8-9/h2,4H,3H2,1H3.
What are the key properties of 1-(4-bromopyrazol-1-yl)propan-2-one?
1-(4-bromopyrazol-1-yl)propan-2-one has a molecular weight of 203.04 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromopyrazol-1-yl)propan-2-one is sourced from PubChem (CID 19576908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).