1-ethyl-4-(oxiran-2-ylmethyl)pyrazole

C8H12N2O — CID 115410523

IUPAC1-ethyl-4-(oxiran-2-ylmethyl)pyrazole
SMILESCCn1cc(CC2CO2)cn1
InChIInChI=1S/C8H12N2O/c1-2-10-5-7(4-9-10)3-8-6-11-8/h4-5,8H,2-3,6H2,1H3
InChIKeyYGPBUEDLZCREGL-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.84
Rot. Bonds3

About 1-ethyl-4-(oxiran-2-ylmethyl)pyrazole

1-ethyl-4-(oxiran-2-ylmethyl)pyrazole (PubChem CID 115410523) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-ethyl-4-(oxiran-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name1-ethyl-4-(oxiran-2-ylmethyl)pyrazole
PubChem CID115410523
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-ethyl-4-(oxiran-2-ylmethyl)pyrazole
SMILESCCn1cc(CC2CO2)cn1
InChIInChI=1S/C8H12N2O/c1-2-10-5-7(4-9-10)3-8-6-11-8/h4-5,8H,2-3,6H2,1H3
InChIKeyYGPBUEDLZCREGL-UHFFFAOYSA-N
XLogP0.84
TPSA30.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[(1-ethylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 83261894
1,4-diethylpyrazole;ethane
CID 143641951
2-[(1-ethylpyrazol-4-yl)methyl]cyclopentan-1-ol
CID 62127889
1-(1,4-dioxan-2-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine
CID 62126007
3-[(1-ethylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 64909188
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
2-[(1-ethylpyrazol-4-yl)methyl]-N-methylcycloheptan-1-amine
CID 62126946
[2-[(1-ethylpyrazol-4-yl)methyl]-4-methylcyclohexyl]methanamine
CID 81010305
N-[(1-ethylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 62126341
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
N-[[1-[(1-ethylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194328
1-(1-ethylpyrazol-4-yl)-3-(oxan-2-yl)propan-2-ol
CID 113391342

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(oxiran-2-ylmethyl)pyrazole?
The IUPAC name of 1-ethyl-4-(oxiran-2-ylmethyl)pyrazole (CID 115410523) is 1-ethyl-4-(oxiran-2-ylmethyl)pyrazole.
What is the SMILES notation for 1-ethyl-4-(oxiran-2-ylmethyl)pyrazole?
The canonical SMILES for 1-ethyl-4-(oxiran-2-ylmethyl)pyrazole is CCn1cc(CC2CO2)cn1.
What is the InChIKey of 1-ethyl-4-(oxiran-2-ylmethyl)pyrazole?
The InChIKey is YGPBUEDLZCREGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-2-10-5-7(4-9-10)3-8-6-11-8/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 1-ethyl-4-(oxiran-2-ylmethyl)pyrazole?
1-ethyl-4-(oxiran-2-ylmethyl)pyrazole has a molecular weight of 152.20 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(oxiran-2-ylmethyl)pyrazole is sourced from PubChem (CID 115410523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).