2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol

C9H16N2O — CID 83384729

IUPAC2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol
SMILESCC(C)n1nccc1C(C)(C)O
InChIInChI=1S/C9H16N2O/c1-7(2)11-8(5-6-10-11)9(3,4)12/h5-7,12H,1-4H3
InChIKeyOZRVPYBRXFMTPJ-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.69
Rot. Bonds2

About 2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol

2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol (PubChem CID 83384729) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol
PubChem CID83384729
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol
SMILESCC(C)n1nccc1C(C)(C)O
InChIInChI=1S/C9H16N2O/c1-7(2)11-8(5-6-10-11)9(3,4)12/h5-7,12H,1-4H3
InChIKeyOZRVPYBRXFMTPJ-UHFFFAOYSA-N
XLogP1.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol (CID 83384729) is 2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol is CC(C)n1nccc1C(C)(C)O.
What is the InChIKey of 2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol?
The InChIKey is OZRVPYBRXFMTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)11-8(5-6-10-11)9(3,4)12/h5-7,12H,1-4H3.
What are the key properties of 2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol?
2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 83384729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).