1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol

C9H14N2O — CID 105110508

IUPAC1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1cc(C)nn1C
InChIInChI=1S/C9H14N2O/c1-6(2)9(12)8-5-7(3)10-11(8)4/h5,9,12H,1H2,2-4H3
InChIKeyNNIRDTFWCJYQFL-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.34
Rot. Bonds2

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

1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol (PubChem CID 105110508) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol
PubChem CID105110508
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol
SMILESC=C(C)C(O)c1cc(C)nn1C
InChIInChI=1S/C9H14N2O/c1-6(2)9(12)8-5-7(3)10-11(8)4/h5,9,12H,1H2,2-4H3
InChIKeyNNIRDTFWCJYQFL-UHFFFAOYSA-N
XLogP1.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol (CID 105110508) is 1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol is C=C(C)C(O)c1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol?
The InChIKey is NNIRDTFWCJYQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)9(12)8-5-7(3)10-11(8)4/h5,9,12H,1H2,2-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol?
1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 105110508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).