1-(1-pentan-2-ylpyrazol-4-yl)ethanol

C10H18N2O — CID 107887185

IUPAC1-(1-pentan-2-ylpyrazol-4-yl)ethanol
SMILESCCCC(C)n1cc(C(C)O)cn1
InChIInChI=1S/C10H18N2O/c1-4-5-8(2)12-7-10(6-11-12)9(3)13/h6-9,13H,4-5H2,1-3H3
InChIKeyVUXRGJPKDQGLLH-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.30
Rot. Bonds4

About 1-(1-pentan-2-ylpyrazol-4-yl)ethanol

1-(1-pentan-2-ylpyrazol-4-yl)ethanol (PubChem CID 107887185) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(1-pentan-2-ylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(1-pentan-2-ylpyrazol-4-yl)ethanol
PubChem CID107887185
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(1-pentan-2-ylpyrazol-4-yl)ethanol
SMILESCCCC(C)n1cc(C(C)O)cn1
InChIInChI=1S/C10H18N2O/c1-4-5-8(2)12-7-10(6-11-12)9(3)13/h6-9,13H,4-5H2,1-3H3
InChIKeyVUXRGJPKDQGLLH-UHFFFAOYSA-N
XLogP2.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-2-ylpyrazol-4-yl)ethanol?
The IUPAC name of 1-(1-pentan-2-ylpyrazol-4-yl)ethanol (CID 107887185) is 1-(1-pentan-2-ylpyrazol-4-yl)ethanol.
What is the SMILES notation for 1-(1-pentan-2-ylpyrazol-4-yl)ethanol?
The canonical SMILES for 1-(1-pentan-2-ylpyrazol-4-yl)ethanol is CCCC(C)n1cc(C(C)O)cn1.
What is the InChIKey of 1-(1-pentan-2-ylpyrazol-4-yl)ethanol?
The InChIKey is VUXRGJPKDQGLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-5-8(2)12-7-10(6-11-12)9(3)13/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 1-(1-pentan-2-ylpyrazol-4-yl)ethanol?
1-(1-pentan-2-ylpyrazol-4-yl)ethanol has a molecular weight of 182.27 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentan-2-ylpyrazol-4-yl)ethanol is sourced from PubChem (CID 107887185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).