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

C7H10N2O2 — CID 130511286

IUPAC4-methoxy-1-(oxiran-2-ylmethyl)pyrazole
SMILESCOc1cnn(CC2CO2)c1
InChIInChI=1S/C7H10N2O2/c1-10-6-2-8-9(3-6)4-7-5-11-7/h2-3,7H,4-5H2,1H3
InChIKeyKBWBMSVPTCGITM-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.29
Rot. Bonds3

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

4-methoxy-1-(oxiran-2-ylmethyl)pyrazole (PubChem CID 130511286) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-methoxy-1-(oxiran-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-methoxy-1-(oxiran-2-ylmethyl)pyrazole
PubChem CID130511286
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-methoxy-1-(oxiran-2-ylmethyl)pyrazole
SMILESCOc1cnn(CC2CO2)c1
InChIInChI=1S/C7H10N2O2/c1-10-6-2-8-9(3-6)4-7-5-11-7/h2-3,7H,4-5H2,1H3
InChIKeyKBWBMSVPTCGITM-UHFFFAOYSA-N
XLogP0.29
TPSA39.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-methoxypyrazol-1-yl)methyl]morpholine
CID 130511290
4-bromo-1-(oxiran-2-ylmethyl)pyrazole
CID 61034660
1-[[(2S)-oxiran-2-yl]methyl]pyrazole-4-carbonitrile
CID 126982877
(3S)-3-[(4-methoxypyrazol-1-yl)methyl]piperidine
CID 165430584
3-(4-methoxypyrazol-1-yl)propan-1-ol
CID 130511177
1-(azetidin-3-ylmethyl)-4-ethoxypyrazole
CID 117125073
N-[(4-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745484
1-ethyl-4-(oxiran-2-ylmethyl)pyrazole
CID 115410523
1-(oxetan-3-ylmethyl)pyrazol-4-amine
CID 118280755
1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 86700079
2,2-diethyl-3-(1-ethylpyrazol-4-yl)oxycyclobutan-1-one
CID 116805587
1-bromo-4-methoxypyrazole
CID 145425644

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(oxiran-2-ylmethyl)pyrazole?
The IUPAC name of 4-methoxy-1-(oxiran-2-ylmethyl)pyrazole (CID 130511286) is 4-methoxy-1-(oxiran-2-ylmethyl)pyrazole.
What is the SMILES notation for 4-methoxy-1-(oxiran-2-ylmethyl)pyrazole?
The canonical SMILES for 4-methoxy-1-(oxiran-2-ylmethyl)pyrazole is COc1cnn(CC2CO2)c1.
What is the InChIKey of 4-methoxy-1-(oxiran-2-ylmethyl)pyrazole?
The InChIKey is KBWBMSVPTCGITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-10-6-2-8-9(3-6)4-7-5-11-7/h2-3,7H,4-5H2,1H3.
What are the key properties of 4-methoxy-1-(oxiran-2-ylmethyl)pyrazole?
4-methoxy-1-(oxiran-2-ylmethyl)pyrazole has a molecular weight of 154.17 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(oxiran-2-ylmethyl)pyrazole is sourced from PubChem (CID 130511286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).