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

C14H18N2O — CID 3259972

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol
SMILESCc1cc(C)n(CC(C)(O)c2ccccc2)n1
InChIInChI=1S/C14H18N2O/c1-11-9-12(2)16(15-11)10-14(3,17)13-7-5-4-6-8-13/h4-9,17H,10H2,1-3H3
InChIKeyGJCWQUSGMYXYIH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.41
Rot. Bonds3

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

1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol (PubChem CID 3259972) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol
PubChem CID3259972
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol
SMILESCc1cc(C)n(CC(C)(O)c2ccccc2)n1
InChIInChI=1S/C14H18N2O/c1-11-9-12(2)16(15-11)10-14(3,17)13-7-5-4-6-8-13/h4-9,17H,10H2,1-3H3
InChIKeyGJCWQUSGMYXYIH-UHFFFAOYSA-N
XLogP2.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol (CID 3259972) is 1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol is Cc1cc(C)n(CC(C)(O)c2ccccc2)n1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol?
The InChIKey is GJCWQUSGMYXYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11-9-12(2)16(15-11)10-14(3,17)13-7-5-4-6-8-13/h4-9,17H,10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol?
1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol has a molecular weight of 230.31 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-2-phenylpropan-2-ol is sourced from PubChem (CID 3259972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).