4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol

C10H16N2O — CID 103091233

IUPAC4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol
SMILESCC(=Cc1cnn(C)c1C)C(C)O
InChIInChI=1S/C10H16N2O/c1-7(9(3)13)5-10-6-11-12(4)8(10)2/h5-6,9,13H,1-4H3
InChIKeyUYBMEGUYBOGIPV-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.51
Rot. Bonds2

About 4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol

4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol (PubChem CID 103091233) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol
PubChem CID103091233
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol
SMILESCC(=Cc1cnn(C)c1C)C(C)O
InChIInChI=1S/C10H16N2O/c1-7(9(3)13)5-10-6-11-12(4)8(10)2/h5-6,9,13H,1-4H3
InChIKeyUYBMEGUYBOGIPV-UHFFFAOYSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol?
The IUPAC name of 4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol (CID 103091233) is 4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol.
What is the SMILES notation for 4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol?
The canonical SMILES for 4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol is CC(=Cc1cnn(C)c1C)C(C)O.
What is the InChIKey of 4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol?
The InChIKey is UYBMEGUYBOGIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(9(3)13)5-10-6-11-12(4)8(10)2/h5-6,9,13H,1-4H3.
What are the key properties of 4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol?
4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol has a molecular weight of 180.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol is sourced from PubChem (CID 103091233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).