1-(3,5-diethylpyrazol-1-yl)propan-2-ol

C10H18N2O — CID 82694148

IUPAC1-(3,5-diethylpyrazol-1-yl)propan-2-ol
SMILESCCc1cc(CC)n(CC(C)O)n1
InChIInChI=1S/C10H18N2O/c1-4-9-6-10(5-2)12(11-9)7-8(3)13/h6,8,13H,4-5,7H2,1-3H3
InChIKeyADUXUSRCZUGWJQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.39
Rot. Bonds4

About 1-(3,5-diethylpyrazol-1-yl)propan-2-ol

1-(3,5-diethylpyrazol-1-yl)propan-2-ol (PubChem CID 82694148) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(3,5-diethylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3,5-diethylpyrazol-1-yl)propan-2-ol
PubChem CID82694148
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-(3,5-diethylpyrazol-1-yl)propan-2-ol
SMILESCCc1cc(CC)n(CC(C)O)n1
InChIInChI=1S/C10H18N2O/c1-4-9-6-10(5-2)12(11-9)7-8(3)13/h6,8,13H,4-5,7H2,1-3H3
InChIKeyADUXUSRCZUGWJQ-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diethylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1-(3,5-diethylpyrazol-1-yl)propan-2-ol (CID 82694148) is 1-(3,5-diethylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3,5-diethylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1-(3,5-diethylpyrazol-1-yl)propan-2-ol is CCc1cc(CC)n(CC(C)O)n1.
What is the InChIKey of 1-(3,5-diethylpyrazol-1-yl)propan-2-ol?
The InChIKey is ADUXUSRCZUGWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-9-6-10(5-2)12(11-9)7-8(3)13/h6,8,13H,4-5,7H2,1-3H3.
What are the key properties of 1-(3,5-diethylpyrazol-1-yl)propan-2-ol?
1-(3,5-diethylpyrazol-1-yl)propan-2-ol has a molecular weight of 182.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diethylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 82694148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).