(3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol

C19H20N2O — CID 134971751

IUPAC(3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol
SMILESC=C[C@]1(c2ccccc2)N=N[C@](CC)(c2ccccc2)[C@H]1O
InChIInChI=1S/C19H20N2O/c1-3-18(15-11-7-5-8-12-15)17(22)19(4-2,21-20-18)16-13-9-6-10-14-16/h3,5-14,17,22H,1,4H2,2H3/t17-,18+,19+/m0/s1
InChIKeyLHZOOTJFTHLFMY-IPMKNSEASA-N
MW292.38 g/mol
LogP4.20
Rot. Bonds4

About (3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol

(3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol (PubChem CID 134971751) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is (3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol.

Molecular Properties

Compound Name(3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol
PubChem CID134971751
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name(3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol
SMILESC=C[C@]1(c2ccccc2)N=N[C@](CC)(c2ccccc2)[C@H]1O
InChIInChI=1S/C19H20N2O/c1-3-18(15-11-7-5-8-12-15)17(22)19(4-2,21-20-18)16-13-9-6-10-14-16/h3,5-14,17,22H,1,4H2,2H3/t17-,18+,19+/m0/s1
InChIKeyLHZOOTJFTHLFMY-IPMKNSEASA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol?
The IUPAC name of (3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol (CID 134971751) is (3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol.
What is the SMILES notation for (3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol?
The canonical SMILES for (3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol is C=C[C@]1(c2ccccc2)N=N[C@](CC)(c2ccccc2)[C@H]1O.
What is the InChIKey of (3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol?
The InChIKey is LHZOOTJFTHLFMY-IPMKNSEASA-N. The full InChI is InChI=1S/C19H20N2O/c1-3-18(15-11-7-5-8-12-15)17(22)19(4-2,21-20-18)16-13-9-6-10-14-16/h3,5-14,17,22H,1,4H2,2H3/t17-,18+,19+/m0/s1.
What are the key properties of (3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol?
(3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol has a molecular weight of 292.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-3-ethenyl-5-ethyl-3,5-diphenyl-4H-pyrazol-4-ol is sourced from PubChem (CID 134971751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).