2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol

C19H20N2O — CID 134888883

IUPAC2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol
SMILESCC1(C)C=C(C(CO)(c2ccccc2)c2ccccc2)N=N1
InChIInChI=1S/C19H20N2O/c1-18(2)13-17(20-21-18)19(14-22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,22H,14H2,1-2H3
InChIKeyNJSZPSQVQXNNAK-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.09
Rot. Bonds4

About 2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol

2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol (PubChem CID 134888883) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol.

Molecular Properties

Compound Name2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol
PubChem CID134888883
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol
SMILESCC1(C)C=C(C(CO)(c2ccccc2)c2ccccc2)N=N1
InChIInChI=1S/C19H20N2O/c1-18(2)13-17(20-21-18)19(14-22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,22H,14H2,1-2H3
InChIKeyNJSZPSQVQXNNAK-UHFFFAOYSA-N
XLogP4.09
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol?
The IUPAC name of 2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol (CID 134888883) is 2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol.
What is the SMILES notation for 2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol?
The canonical SMILES for 2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol is CC1(C)C=C(C(CO)(c2ccccc2)c2ccccc2)N=N1.
What is the InChIKey of 2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol?
The InChIKey is NJSZPSQVQXNNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-18(2)13-17(20-21-18)19(14-22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-13,22H,14H2,1-2H3.
What are the key properties of 2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol?
2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol has a molecular weight of 292.38 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethylpyrazol-3-yl)-2,2-diphenylethanol is sourced from PubChem (CID 134888883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).