[1-(2-ethoxyethyl)pyrazol-4-yl]methanol

C8H14N2O2 — CID 62731815

IUPAC[1-(2-ethoxyethyl)pyrazol-4-yl]methanol
SMILESCCOCCn1cc(CO)cn1
InChIInChI=1S/C8H14N2O2/c1-2-12-4-3-10-6-8(7-11)5-9-10/h5-6,11H,2-4,7H2,1H3
InChIKeyXNMIHSQUIFNZQO-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.41
Rot. Bonds5

About [1-(2-ethoxyethyl)pyrazol-4-yl]methanol

[1-(2-ethoxyethyl)pyrazol-4-yl]methanol (PubChem CID 62731815) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)pyrazol-4-yl]methanol
PubChem CID62731815
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name[1-(2-ethoxyethyl)pyrazol-4-yl]methanol
SMILESCCOCCn1cc(CO)cn1
InChIInChI=1S/C8H14N2O2/c1-2-12-4-3-10-6-8(7-11)5-9-10/h5-6,11H,2-4,7H2,1H3
InChIKeyXNMIHSQUIFNZQO-UHFFFAOYSA-N
XLogP0.41
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-1-(2-ethoxyethyl)pyrazole
CID 62729841
1-(2-ethoxyethyl)pyrazol-4-amine
CID 43457185
[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol
CID 103412880
[1-(2-chloroethyl)pyrazol-4-yl]methanol
CID 4711793
N-[[1-(3-ethoxypropyl)pyrazol-4-yl]methyl]propan-2-amine
CID 65177937
[1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol
CID 64565126
1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731441
[1-(2-methylpropyl)pyrazol-4-yl]methanol
CID 62729998
4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrazole
CID 104567003
2-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanamine
CID 104567009
1-[1-(2-butoxyethyl)pyrazol-4-yl]propan-2-amine
CID 62731510
(1-propylpyrazol-4-yl)methanethiol
CID 103573669

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(2-ethoxyethyl)pyrazol-4-yl]methanol (CID 62731815) is [1-(2-ethoxyethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-ethoxyethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-ethoxyethyl)pyrazol-4-yl]methanol is CCOCCn1cc(CO)cn1.
What is the InChIKey of [1-(2-ethoxyethyl)pyrazol-4-yl]methanol?
The InChIKey is XNMIHSQUIFNZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-2-12-4-3-10-6-8(7-11)5-9-10/h5-6,11H,2-4,7H2,1H3.
What are the key properties of [1-(2-ethoxyethyl)pyrazol-4-yl]methanol?
[1-(2-ethoxyethyl)pyrazol-4-yl]methanol has a molecular weight of 170.21 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 62731815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).