(Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol

C25H22N2O — CID 92857433

IUPAC(Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol
SMILESO[C@@](/C=C\c1ccccc1)(Cc1cc(-c2ccccc2)n[nH]1)c1ccccc1
InChIInChI=1S/C25H22N2O/c28-25(22-14-8-3-9-15-22,17-16-20-10-4-1-5-11-20)19-23-18-24(27-26-23)21-12-6-2-7-13-21/h1-18,28H,19H2,(H,26,27)/b17-16-/t25-/m0/s1
InChIKeyLEJPMTCEIUFHGJ-VCLNNIJQSA-N
MW366.46 g/mol
LogP5.22
Rot. Bonds6

About (Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol

(Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol (PubChem CID 92857433) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is (Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol
PubChem CID92857433
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name(Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol
SMILESO[C@@](/C=C\c1ccccc1)(Cc1cc(-c2ccccc2)n[nH]1)c1ccccc1
InChIInChI=1S/C25H22N2O/c28-25(22-14-8-3-9-15-22,17-16-20-10-4-1-5-11-20)19-23-18-24(27-26-23)21-12-6-2-7-13-21/h1-18,28H,19H2,(H,26,27)/b17-16-/t25-/m0/s1
InChIKeyLEJPMTCEIUFHGJ-VCLNNIJQSA-N
XLogP5.22
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol?
The IUPAC name of (Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol (CID 92857433) is (Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol.
What is the SMILES notation for (Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol?
The canonical SMILES for (Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol is O[C@@](/C=C\c1ccccc1)(Cc1cc(-c2ccccc2)n[nH]1)c1ccccc1.
What is the InChIKey of (Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol?
The InChIKey is LEJPMTCEIUFHGJ-VCLNNIJQSA-N. The full InChI is InChI=1S/C25H22N2O/c28-25(22-14-8-3-9-15-22,17-16-20-10-4-1-5-11-20)19-23-18-24(27-26-23)21-12-6-2-7-13-21/h1-18,28H,19H2,(H,26,27)/b17-16-/t25-/m0/s1.
What are the key properties of (Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol?
(Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol has a molecular weight of 366.46 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2,4-diphenyl-1-(3-phenyl-1H-pyrazol-5-yl)but-3-en-2-ol is sourced from PubChem (CID 92857433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).