(2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol

C25H24N2O — CID 1120787

IUPAC(2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol
SMILESCc1cc(C)n([C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H24N2O/c1-19-18-20(2)27(26-19)24(21-12-6-3-7-13-21)25(28,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18,24,28H,1-2H3/t24-/m0/s1
InChIKeyMRYIEECJHRGVFZ-DEOSSOPVSA-N
MW368.48 g/mol
LogP5.03
Rot. Bonds5

About (2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol

(2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol (PubChem CID 1120787) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol
PubChem CID1120787
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name(2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol
SMILESCc1cc(C)n([C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C25H24N2O/c1-19-18-20(2)27(26-19)24(21-12-6-3-7-13-21)25(28,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18,24,28H,1-2H3/t24-/m0/s1
InChIKeyMRYIEECJHRGVFZ-DEOSSOPVSA-N
XLogP5.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-methylpiperazin-1-yl)-1,1,2-triphenylethanol
CID 24781288
1-(3,5-dimethylpyrazol-1-yl)ethanol
CID 70567807
(1S,2S)-1-(2-methylphenyl)-1,2-diphenylbutan-1-ol
CID 139051359
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472022
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
1-[(2S)-2-cyclopenta-1,4-dien-1-yl-1-(3,5-dimethylpyrazol-1-yl)-2-phenylethyl]-3,5-dimethylpyrazole
CID 139110995
1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one
CID 86062361
2,2-bis(3,5-dimethylpyrazol-1-yl)acetic acid;dichlororuthenium;triphenylphosphanium
CID 6394205
3-(3,5-dimethylpyrazol-1-yl)-2-phenylpropanenitrile
CID 64535776
2-(3,5-dimethylpyrazol-1-yl)-N-ethylpentan-1-amine
CID 83045319
1-(1-bromoethyl)-3,5-dimethylpyrazole
CID 86146803
2-(3,5-dimethylpyrazol-1-yl)-2-(3,5-diphenylpyrazol-1-yl)acetic acid
CID 12029595

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol?
The IUPAC name of (2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol (CID 1120787) is (2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol.
What is the SMILES notation for (2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol?
The canonical SMILES for (2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol is Cc1cc(C)n([C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of (2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol?
The InChIKey is MRYIEECJHRGVFZ-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H24N2O/c1-19-18-20(2)27(26-19)24(21-12-6-3-7-13-21)25(28,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-18,24,28H,1-2H3/t24-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol?
(2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol has a molecular weight of 368.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylpyrazol-1-yl)-1,1,2-triphenylethanol is sourced from PubChem (CID 1120787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).