[2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol

C9H16N2O3 — CID 118157025

IUPAC[2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol
SMILESCOCCOCCn1nccc1CO
InChIInChI=1S/C9H16N2O3/c1-13-6-7-14-5-4-11-9(8-12)2-3-10-11/h2-3,12H,4-8H2,1H3
InChIKeyGFWQRCQEPFGCDC-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.04
Rot. Bonds7

About [2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol

[2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol (PubChem CID 118157025) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is [2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol
PubChem CID118157025
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name[2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol
SMILESCOCCOCCn1nccc1CO
InChIInChI=1S/C9H16N2O3/c1-13-6-7-14-5-4-11-9(8-12)2-3-10-11/h2-3,12H,4-8H2,1H3
InChIKeyGFWQRCQEPFGCDC-UHFFFAOYSA-N
XLogP0.04
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1-methyl-1H-pyrazol-3-yl)methanol
CID 12845046
(1-methyl-1H-pyrazol-5-yl)methanol
CID 11815316
(1-ethyl-1H-pyrazol-3-yl)methanol
CID 22287713
(1-(propan-2-yl)-1H-pyrazol-3-yl)methanol
CID 23005538
(1-(difluoromethyl)-1H-pyrazol-3-yl)methanol
CID 50896816
(1-(2,2-difluoroethyl)-1H-pyrazol-3-yl)methanol
CID 50896840
(1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)methanol
CID 60136443
(1-cyclohexyl-1H-pyrazol-3-yl)methanol
CID 64784823
(1-cyclopropyl-1H-pyrazol-5-yl)methanol
CID 83383735
(2-Butyl-2H-Pyrazol-3-Yl)-Methanol
CID 86767428
[1-(2-methylpropyl)-1H-pyrazol-3-yl]methanol
CID 119053443
(1-cyclobutyl-1H-pyrazol-3-yl)methanol
CID 162341261

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol?
The IUPAC name of [2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol (CID 118157025) is [2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol.
What is the SMILES notation for [2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol?
The canonical SMILES for [2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol is COCCOCCn1nccc1CO.
What is the InChIKey of [2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol?
The InChIKey is GFWQRCQEPFGCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-13-6-7-14-5-4-11-9(8-12)2-3-10-11/h2-3,12H,4-8H2,1H3.
What are the key properties of [2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol?
[2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol has a molecular weight of 200.24 g/mol, XLogP of 0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyethoxy)ethyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 118157025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).