(3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole

C17H18N2O — CID 7628458

IUPAC(3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole
SMILESCCO[C@H]1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C17H18N2O/c1-2-20-17-13-16(14-9-5-3-6-10-14)18-19(17)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3/t17-/m0/s1
InChIKeyPYXWEMLGLLDITE-KRWDZBQOSA-N
MW266.34 g/mol
LogP3.66
Rot. Bonds4

About (3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole

(3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole (PubChem CID 7628458) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole
PubChem CID7628458
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole
SMILESCCO[C@H]1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C17H18N2O/c1-2-20-17-13-16(14-9-5-3-6-10-14)18-19(17)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3/t17-/m0/s1
InChIKeyPYXWEMLGLLDITE-KRWDZBQOSA-N
XLogP3.66
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-(4-ethoxyphenyl)-2-phenyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 7329383
2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol
CID 7570848
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
CID 40525014
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
CID 2729182
(3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 40541008
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]-N,N-diphenylaniline
CID 176837167
(3S)-3-[3-[10-[3-[(3R)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]phenoxy]decoxy]phenyl]-2,5-diphenyl-3,4-dihydropyrazole
CID 139235423
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
2,5-diphenyl-3,4-dihydropyrazole-3-carboxamide
CID 175059714
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole (CID 7628458) is (3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole is CCO[C@H]1CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of (3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is PYXWEMLGLLDITE-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H18N2O/c1-2-20-17-13-16(14-9-5-3-6-10-14)18-19(17)15-11-7-4-8-12-15/h3-12,17H,2,13H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole?
(3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 266.34 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 7628458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).