[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol

C10H18N2O3 — CID 103412880

IUPAC[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol
SMILESCOCCOCCCn1cc(CO)cn1
InChIInChI=1S/C10H18N2O3/c1-14-5-6-15-4-2-3-12-8-10(9-13)7-11-12/h7-8,13H,2-6,9H2,1H3
InChIKeyBXFUODJNAPBBHO-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.43
Rot. Bonds8

About [1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol

[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol (PubChem CID 103412880) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is [1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol
PubChem CID103412880
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol
SMILESCOCCOCCCn1cc(CO)cn1
InChIInChI=1S/C10H18N2O3/c1-14-5-6-15-4-2-3-12-8-10(9-13)7-11-12/h7-8,13H,2-6,9H2,1H3
InChIKeyBXFUODJNAPBBHO-UHFFFAOYSA-N
XLogP0.43
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol?
The IUPAC name of [1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol (CID 103412880) is [1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol?
The canonical SMILES for [1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol is COCCOCCCn1cc(CO)cn1.
What is the InChIKey of [1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol?
The InChIKey is BXFUODJNAPBBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-14-5-6-15-4-2-3-12-8-10(9-13)7-11-12/h7-8,13H,2-6,9H2,1H3.
What are the key properties of [1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol?
[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol has a molecular weight of 214.26 g/mol, XLogP of 0.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 103412880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).