[1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol

C8H14N2O3 — CID 135258564

IUPAC[1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol
SMILESCCn1nc(C(O)OC)cc1CO
InChIInChI=1S/C8H14N2O3/c1-3-10-6(5-11)4-7(9-10)8(12)13-2/h4,8,11-12H,3,5H2,1-2H3
InChIKeyGWROIYRSPZUQDM-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.03
Rot. Bonds4

About [1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol

[1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol (PubChem CID 135258564) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is [1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol.

Molecular Properties

Compound Name[1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol
PubChem CID135258564
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name[1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol
SMILESCCn1nc(C(O)OC)cc1CO
InChIInChI=1S/C8H14N2O3/c1-3-10-6(5-11)4-7(9-10)8(12)13-2/h4,8,11-12H,3,5H2,1-2H3
InChIKeyGWROIYRSPZUQDM-UHFFFAOYSA-N
XLogP0.03
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-diethylpyrazol-5-yl)-3-methoxybutan-2-one
CID 79617483
3-(2-ethyl-5-methylpyrazol-3-yl)-1,1-dimethoxy-2-methylpropan-2-ol
CID 66036946
[1,3-di(propan-2-yl)pyrazol-5-yl]methanol
CID 167336895
(3-ethyl-1-propylpyrazol-5-yl)methanol
CID 122663118
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79616916
(1,3-diethyl-5-methoxypyrazol-4-yl)methanol
CID 117124459
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105109618
1-(2-ethyl-5-methylpyrazol-3-yl)hexane-2,3-diol
CID 103454836
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methoxy-4-methylphenyl)ethanol
CID 115816490
tert-butyl N-[1-[5-(hydroxymethyl)-3-propan-2-ylpyrazol-1-yl]-3,3-dimethylbutan-2-yl]carbamate
CID 150208323
2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
CID 79450356

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol?
The IUPAC name of [1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol (CID 135258564) is [1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol.
What is the SMILES notation for [1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol?
The canonical SMILES for [1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol is CCn1nc(C(O)OC)cc1CO.
What is the InChIKey of [1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol?
The InChIKey is GWROIYRSPZUQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-3-10-6(5-11)4-7(9-10)8(12)13-2/h4,8,11-12H,3,5H2,1-2H3.
What are the key properties of [1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol?
[1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol has a molecular weight of 186.21 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol is sourced from PubChem (CID 135258564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).