3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol

C9H16N2O — CID 20605536

IUPAC3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol
SMILESCC(C)c1ccn(CCCO)n1
InChIInChI=1S/C9H16N2O/c1-8(2)9-4-6-11(10-9)5-3-7-12/h4,6,8,12H,3,5,7H2,1-2H3
InChIKeyMLGMOCVTEUZCFR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.39
Rot. Bonds4

About 3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol

3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol (PubChem CID 20605536) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol
PubChem CID20605536
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol
SMILESCC(C)c1ccn(CCCO)n1
InChIInChI=1S/C9H16N2O/c1-8(2)9-4-6-11(10-9)5-3-7-12/h4,6,8,12H,3,5,7H2,1-2H3
InChIKeyMLGMOCVTEUZCFR-UHFFFAOYSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-Methyl-5-t-butylpyrazole
CID 145634
2-(5-(piperidin-4-yl)-1H-pyrazol-1-yl)ethan-1-ol
CID 50990677
3-(1-methyl-1H-pyrazol-5-yl)propan-1-ol
CID 64515300
2-[1-(propan-2-yl)-1H-pyrazol-5-yl]ethan-1-ol
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1,3-Dibutylpyrazole
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Frequently Asked Questions

What is the IUPAC name of 3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol?
The IUPAC name of 3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol (CID 20605536) is 3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol is CC(C)c1ccn(CCCO)n1.
What is the InChIKey of 3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol?
The InChIKey is MLGMOCVTEUZCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-8(2)9-4-6-11(10-9)5-3-7-12/h4,6,8,12H,3,5,7H2,1-2H3.
What are the key properties of 3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol?
3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol has a molecular weight of 168.24 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 3-(3-propan-2-ylpyrazol-1-yl)propan-1-ol is sourced from PubChem (CID 20605536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).