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

C8H14N2O — CID 53355523

IUPAC2-(1,5-dimethylpyrazol-3-yl)propan-2-ol
SMILESCc1cc(C(C)(C)O)nn1C
InChIInChI=1S/C8H14N2O/c1-6-5-7(8(2,3)11)9-10(6)4/h5,11H,1-4H3
InChIKeyPGMODAKIMXIBAA-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.96
Rot. Bonds1

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

2-(1,5-dimethylpyrazol-3-yl)propan-2-ol (PubChem CID 53355523) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-3-yl)propan-2-ol
PubChem CID53355523
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(1,5-dimethylpyrazol-3-yl)propan-2-ol
SMILESCc1cc(C(C)(C)O)nn1C
InChIInChI=1S/C8H14N2O/c1-6-5-7(8(2,3)11)9-10(6)4/h5,11H,1-4H3
InChIKeyPGMODAKIMXIBAA-UHFFFAOYSA-N
XLogP0.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)propan-2-ol?
The IUPAC name of 2-(1,5-dimethylpyrazol-3-yl)propan-2-ol (CID 53355523) is 2-(1,5-dimethylpyrazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-3-yl)propan-2-ol?
The canonical SMILES for 2-(1,5-dimethylpyrazol-3-yl)propan-2-ol is Cc1cc(C(C)(C)O)nn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-3-yl)propan-2-ol?
The InChIKey is PGMODAKIMXIBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-5-7(8(2,3)11)9-10(6)4/h5,11H,1-4H3.
What are the key properties of 2-(1,5-dimethylpyrazol-3-yl)propan-2-ol?
2-(1,5-dimethylpyrazol-3-yl)propan-2-ol has a molecular weight of 154.21 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-3-yl)propan-2-ol is sourced from PubChem (CID 53355523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).