1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol

C9H16N2O — CID 135157651

IUPAC1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol
SMILESCC(O)c1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C9H16N2O/c1-6(12)7-5-8(11-10-7)9(2,3)4/h5-6,12H,1-4H3,(H,10,11)
InChIKeyUIJZPRXPXJAASN-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.76
Rot. Bonds1

About 1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol

1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol (PubChem CID 135157651) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol
PubChem CID135157651
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol
SMILESCC(O)c1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C9H16N2O/c1-6(12)7-5-8(11-10-7)9(2,3)4/h5-6,12H,1-4H3,(H,10,11)
InChIKeyUIJZPRXPXJAASN-UHFFFAOYSA-N
XLogP1.76
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol?
The IUPAC name of 1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol (CID 135157651) is 1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol is CC(O)c1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of 1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol?
The InChIKey is UIJZPRXPXJAASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-6(12)7-5-8(11-10-7)9(2,3)4/h5-6,12H,1-4H3,(H,10,11).
What are the key properties of 1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol?
1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol has a molecular weight of 168.24 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol is sourced from PubChem (CID 135157651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).