(5,5-dimethylpyrazol-3-yl)-diphenylmethanol

C18H18N2O — CID 11608843

IUPAC(5,5-dimethylpyrazol-3-yl)-diphenylmethanol
SMILESCC1(C)C=C(C(O)(c2ccccc2)c2ccccc2)N=N1
InChIInChI=1S/C18H18N2O/c1-17(2)13-16(19-20-17)18(21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,21H,1-2H3
InChIKeyKWSYLLRHMBNSFF-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.05
Rot. Bonds3

About (5,5-dimethylpyrazol-3-yl)-diphenylmethanol

(5,5-dimethylpyrazol-3-yl)-diphenylmethanol (PubChem CID 11608843) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (5,5-dimethylpyrazol-3-yl)-diphenylmethanol.

Molecular Properties

Compound Name(5,5-dimethylpyrazol-3-yl)-diphenylmethanol
PubChem CID11608843
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(5,5-dimethylpyrazol-3-yl)-diphenylmethanol
SMILESCC1(C)C=C(C(O)(c2ccccc2)c2ccccc2)N=N1
InChIInChI=1S/C18H18N2O/c1-17(2)13-16(19-20-17)18(21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,21H,1-2H3
InChIKeyKWSYLLRHMBNSFF-UHFFFAOYSA-N
XLogP4.05
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5,5-dimethylpyrazol-3-yl)-diphenylmethanol?
The IUPAC name of (5,5-dimethylpyrazol-3-yl)-diphenylmethanol (CID 11608843) is (5,5-dimethylpyrazol-3-yl)-diphenylmethanol.
What is the SMILES notation for (5,5-dimethylpyrazol-3-yl)-diphenylmethanol?
The canonical SMILES for (5,5-dimethylpyrazol-3-yl)-diphenylmethanol is CC1(C)C=C(C(O)(c2ccccc2)c2ccccc2)N=N1.
What is the InChIKey of (5,5-dimethylpyrazol-3-yl)-diphenylmethanol?
The InChIKey is KWSYLLRHMBNSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-17(2)13-16(19-20-17)18(21,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,21H,1-2H3.
What are the key properties of (5,5-dimethylpyrazol-3-yl)-diphenylmethanol?
(5,5-dimethylpyrazol-3-yl)-diphenylmethanol has a molecular weight of 278.36 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5-dimethylpyrazol-3-yl)-diphenylmethanol is sourced from PubChem (CID 11608843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).