1-(2-methylpyrazol-3-yl)ethanone;hydrobromide

C6H9BrN2O — CID 140678632

IUPAC1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
SMILESBr.CC(=O)c1ccnn1C
InChIInChI=1S/C6H8N2O.BrH/c1-5(9)6-3-4-7-8(6)2;/h3-4H,1-2H3;1H
InChIKeyYSBLNBYYIVFDRQ-UHFFFAOYSA-N
MW205.06 g/mol
LogP1.20
Rot. Bonds1

About 1-(2-methylpyrazol-3-yl)ethanone;hydrobromide

1-(2-methylpyrazol-3-yl)ethanone;hydrobromide (PubChem CID 140678632) has the molecular formula C6H9BrN2O and a molecular weight of 205.06 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
PubChem CID140678632
Molecular FormulaC6H9BrN2O
Molecular Weight205.06 g/mol
Exact Mass203.99
IUPAC Name1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
SMILESBr.CC(=O)c1ccnn1C
InChIInChI=1S/C6H8N2O.BrH/c1-5(9)6-3-4-7-8(6)2;/h3-4H,1-2H3;1H
InChIKeyYSBLNBYYIVFDRQ-UHFFFAOYSA-N
XLogP1.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
fluoro 2-methylpyrazole-3-carboxylate
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2,3-dimethyl-1-(2-methylpyrazol-3-yl)butan-1-one
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1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
(2-methylpyrazol-3-yl)-pyrimidin-2-ylmethanone
CID 63960953
4-(2-methylpyrazol-3-yl)-4-oxobutanoic acid
CID 82407999
tert-butyl 2-methylpyrazole-3-carboxylate
CID 63896646
2-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 19475610
3-(2-methylpyrazol-3-yl)-3-oxopropanenitrile
CID 82417604
4,4-dimethyl-1-(2-methylpyrazol-3-yl)pentan-1-one
CID 58394964
1-(2-methylpyrazol-3-yl)-2-methylsulfonylpropan-1-one
CID 114972552
N-[(1R)-1-cyanoethyl]-2-methylpyrazole-3-carboxamide
CID 130678636

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)ethanone;hydrobromide?
The IUPAC name of 1-(2-methylpyrazol-3-yl)ethanone;hydrobromide (CID 140678632) is 1-(2-methylpyrazol-3-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)ethanone;hydrobromide is Br.CC(=O)c1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)ethanone;hydrobromide?
The InChIKey is YSBLNBYYIVFDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.BrH/c1-5(9)6-3-4-7-8(6)2;/h3-4H,1-2H3;1H.
What are the key properties of 1-(2-methylpyrazol-3-yl)ethanone;hydrobromide?
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide has a molecular weight of 205.06 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)ethanone;hydrobromide is sourced from PubChem (CID 140678632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).