1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone

C10H13BrN2O3 — CID 103543833

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
SMILESCCn1ncc(Br)c1C(=O)CC1OCCO1
InChIInChI=1S/C10H13BrN2O3/c1-2-13-10(7(11)6-12-13)8(14)5-9-15-3-4-16-9/h6,9H,2-5H2,1H3
InChIKeyQQLWJRSEKTUFPN-UHFFFAOYSA-N
MW289.13 g/mol
LogP1.61
Rot. Bonds4

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone (PubChem CID 103543833) has the molecular formula C10H13BrN2O3 and a molecular weight of 289.13 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
PubChem CID103543833
Molecular FormulaC10H13BrN2O3
Molecular Weight289.13 g/mol
Exact Mass288.01
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
SMILESCCn1ncc(Br)c1C(=O)CC1OCCO1
InChIInChI=1S/C10H13BrN2O3/c1-2-13-10(7(11)6-12-13)8(14)5-9-15-3-4-16-9/h6,9H,2-5H2,1H3
InChIKeyQQLWJRSEKTUFPN-UHFFFAOYSA-N
XLogP1.61
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone
CID 103543836
1-(4-bromo-1-propylpyrazol-5-yl)-2-(oxan-2-yl)ethanone
CID 114642345
(4-bromo-1-ethylpyrazol-5-yl)-(oxan-4-yl)methanone
CID 114640603
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)propan-1-one
CID 114668211
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxyethanone
CID 114639502
1-(4-bromo-1-ethylpyrazol-5-yl)-3-cyclohexylpropan-1-one
CID 115803375
3-amino-1-(4-bromo-1-ethylpyrazol-5-yl)-3-methylbutan-1-one
CID 114669734
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114670083
3-bicyclo[3.1.0]hexanyl-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 115803497
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxybutan-1-one
CID 114640394
4-bromo-1-ethyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 19476591
1-(4-bromo-1-ethylpyrazol-5-yl)-3-methoxy-3-methylbutan-1-one
CID 103023528

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone (CID 103543833) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone is CCn1ncc(Br)c1C(=O)CC1OCCO1.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone?
The InChIKey is QQLWJRSEKTUFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O3/c1-2-13-10(7(11)6-12-13)8(14)5-9-15-3-4-16-9/h6,9H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone has a molecular weight of 289.13 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(1,3-dioxolan-2-yl)ethanone is sourced from PubChem (CID 103543833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).