5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol

C11H20N2O2 — CID 105082767

IUPAC5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
SMILESCCOCCCC(O)Cc1cnn(C)c1
InChIInChI=1S/C11H20N2O2/c1-3-15-6-4-5-11(14)7-10-8-12-13(2)9-10/h8-9,11,14H,3-7H2,1-2H3
InChIKeyMGMWZLDOUJDVOS-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.14
Rot. Bonds7

About 5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol

5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol (PubChem CID 105082767) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
PubChem CID105082767
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
SMILESCCOCCCC(O)Cc1cnn(C)c1
InChIInChI=1S/C11H20N2O2/c1-3-15-6-4-5-11(14)7-10-8-12-13(2)9-10/h8-9,11,14H,3-7H2,1-2H3
InChIKeyMGMWZLDOUJDVOS-UHFFFAOYSA-N
XLogP1.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.14
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

5-methoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol
CID 65091906
1-methoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62127498
1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 116712818
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
CID 103008236
5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 105113599
1-(1-methylpyrazol-4-yl)tetradecan-3-ol
CID 103027779
3-ethyl-1-(1-methylpyrazol-4-yl)heptan-2-ol
CID 115780380
1-(1-methylpyrazol-4-yl)-4-propoxybutan-2-amine
CID 105113884
1-hexoxy-3-[2-(1-methylpyrazol-4-yl)ethylamino]propan-2-ol
CID 80688585
4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
CID 103008145
1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol
CID 105082825

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol?
The IUPAC name of 5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol (CID 105082767) is 5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol.
What is the SMILES notation for 5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol?
The canonical SMILES for 5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol is CCOCCCC(O)Cc1cnn(C)c1.
What is the InChIKey of 5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol?
The InChIKey is MGMWZLDOUJDVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-15-6-4-5-11(14)7-10-8-12-13(2)9-10/h8-9,11,14H,3-7H2,1-2H3.
What are the key properties of 5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol?
5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(1-methylpyrazol-4-yl)pentan-2-ol is sourced from PubChem (CID 105082767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).