[1,3-di(propan-2-yl)pyrazol-5-yl]methanol

C10H18N2O — CID 167336895

IUPAC[1,3-di(propan-2-yl)pyrazol-5-yl]methanol
SMILESCC(C)c1cc(CO)n(C(C)C)n1
InChIInChI=1S/C10H18N2O/c1-7(2)10-5-9(6-13)12(11-10)8(3)4/h5,7-8,13H,6H2,1-4H3
InChIKeyONCFIHWBMAMHAO-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.08
Rot. Bonds3

About [1,3-di(propan-2-yl)pyrazol-5-yl]methanol

[1,3-di(propan-2-yl)pyrazol-5-yl]methanol (PubChem CID 167336895) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is [1,3-di(propan-2-yl)pyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1,3-di(propan-2-yl)pyrazol-5-yl]methanol
PubChem CID167336895
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name[1,3-di(propan-2-yl)pyrazol-5-yl]methanol
SMILESCC(C)c1cc(CO)n(C(C)C)n1
InChIInChI=1S/C10H18N2O/c1-7(2)10-5-9(6-13)12(11-10)8(3)4/h5,7-8,13H,6H2,1-4H3
InChIKeyONCFIHWBMAMHAO-UHFFFAOYSA-N
XLogP2.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,3-di(propan-2-yl)pyrazol-5-yl]methanol?
The IUPAC name of [1,3-di(propan-2-yl)pyrazol-5-yl]methanol (CID 167336895) is [1,3-di(propan-2-yl)pyrazol-5-yl]methanol.
What is the SMILES notation for [1,3-di(propan-2-yl)pyrazol-5-yl]methanol?
The canonical SMILES for [1,3-di(propan-2-yl)pyrazol-5-yl]methanol is CC(C)c1cc(CO)n(C(C)C)n1.
What is the InChIKey of [1,3-di(propan-2-yl)pyrazol-5-yl]methanol?
The InChIKey is ONCFIHWBMAMHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)10-5-9(6-13)12(11-10)8(3)4/h5,7-8,13H,6H2,1-4H3.
What are the key properties of [1,3-di(propan-2-yl)pyrazol-5-yl]methanol?
[1,3-di(propan-2-yl)pyrazol-5-yl]methanol has a molecular weight of 182.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-di(propan-2-yl)pyrazol-5-yl]methanol is sourced from PubChem (CID 167336895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).