(3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole

C18H18N2O — CID 40541008

IUPAC(3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESC=C(OC)[C@@H]1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C18H18N2O/c1-14(21-2)18-13-17(15-9-5-3-6-10-15)19-20(18)16-11-7-4-8-12-16/h3-12,18H,1,13H2,2H3/t18-/m0/s1
InChIKeyGSLVCKBIVPUBMK-SFHVURJKSA-N
MW278.36 g/mol
LogP3.83
Rot. Bonds4

About (3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole

(3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole (PubChem CID 40541008) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is (3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole
PubChem CID40541008
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name(3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole
SMILESC=C(OC)[C@@H]1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C18H18N2O/c1-14(21-2)18-13-17(15-9-5-3-6-10-15)19-20(18)16-11-7-4-8-12-16/h3-12,18H,1,13H2,2H3/t18-/m0/s1
InChIKeyGSLVCKBIVPUBMK-SFHVURJKSA-N
XLogP3.83
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
CID 40525014
2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole
CID 13152575
2,5-diphenyl-3,4-dihydropyrazole-3-carboxamide
CID 175059714
methyl 2,6-diphenyl-4,5-dihydro-3H-pyridazine-3-carboxylate
CID 132918901
5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 101435165
2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol
CID 7570848
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
(3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole
CID 7628458
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
4-(2,5-diphenyl-3,4-dihydropyrazol-3-yl)-N,N-dimethylaniline
CID 2729182
3-(4-bromophenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 3089890
4-[5-(4-hydroxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
CID 166624752

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The IUPAC name of (3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole (CID 40541008) is (3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole is C=C(OC)[C@@H]1CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of (3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole?
The InChIKey is GSLVCKBIVPUBMK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H18N2O/c1-14(21-2)18-13-17(15-9-5-3-6-10-15)19-20(18)16-11-7-4-8-12-16/h3-12,18H,1,13H2,2H3/t18-/m0/s1.
What are the key properties of (3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole?
(3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole has a molecular weight of 278.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole is sourced from PubChem (CID 40541008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).