4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol

C11H20N2O2 — CID 103008145

IUPAC4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
SMILESCCOC(C)C(O)CCc1cnn(C)c1
InChIInChI=1S/C11H20N2O2/c1-4-15-9(2)11(14)6-5-10-7-12-13(3)8-10/h7-9,11,14H,4-6H2,1-3H3
InChIKeyAXPZXCNQGDMUMY-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.14
Rot. Bonds6

About 4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol

4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol (PubChem CID 103008145) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol.

Molecular Properties

Compound Name4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
PubChem CID103008145
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol
SMILESCCOC(C)C(O)CCc1cnn(C)c1
InChIInChI=1S/C11H20N2O2/c1-4-15-9(2)11(14)6-5-10-7-12-13(3)8-10/h7-9,11,14H,4-6H2,1-3H3
InChIKeyAXPZXCNQGDMUMY-UHFFFAOYSA-N
XLogP1.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
1-cyclopropyl-1-ethoxy-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008567
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
1-cyclopropyl-1-ethoxy-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 116712818
ethyl 2-amino-4-(1-methylpyrazol-4-yl)butanoate
CID 103002910
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402
1-(1-methylpyrazol-4-yl)tetradecan-3-ol
CID 103027779
1-(1-ethoxycyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008601
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
CID 103008236
1-cyclopropyl-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 103008389
1-(2-methylcyclopropyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 103008226

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol?
The IUPAC name of 4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol (CID 103008145) is 4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol.
What is the SMILES notation for 4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol?
The canonical SMILES for 4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol is CCOC(C)C(O)CCc1cnn(C)c1.
What is the InChIKey of 4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol?
The InChIKey is AXPZXCNQGDMUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-15-9(2)11(14)6-5-10-7-12-13(3)8-10/h7-9,11,14H,4-6H2,1-3H3.
What are the key properties of 4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol?
4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol has a molecular weight of 212.29 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(1-methylpyrazol-4-yl)pentan-3-ol is sourced from PubChem (CID 103008145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).