2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol

C18H20N2O — CID 7570848

IUPAC2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-18(2,21)17-13-16(14-9-5-3-6-10-14)19-20(17)15-11-7-4-8-12-15/h3-12,17,21H,13H2,1-2H3/t17-/m0/s1
InChIKeyYYPJVEVRJMYYLS-KRWDZBQOSA-N
MW280.37 g/mol
LogP3.44
Rot. Bonds3

About 2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol

2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol (PubChem CID 7570848) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol
PubChem CID7570848
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-18(2,21)17-13-16(14-9-5-3-6-10-14)19-20(17)15-11-7-4-8-12-15/h3-12,17,21H,13H2,1-2H3/t17-/m0/s1
InChIKeyYYPJVEVRJMYYLS-KRWDZBQOSA-N
XLogP3.44
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-diphenyl-3-(1-phenylethenyl)-3,4-dihydropyrazole
CID 13152575
2,5-diphenyl-3,4-dihydropyrazole-3-carboxamide
CID 175059714
(3S)-3-(1-methoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole
CID 40541008
methyl (3R)-2,5-diphenyl-3,4-dihydropyrazole-3-carboxylate
CID 40525014
(3S)-3-ethoxy-2,5-diphenyl-3,4-dihydropyrazole
CID 7628458
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
(3S)-2,5-diphenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7195893
(3R)-2-(4-bromophenyl)-3,5-diphenyl-3,4-dihydropyrazole
CID 7071800
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
3-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]propan-2-yl]oxyphenyl]-2-phenyl-5-(4-phenylphenyl)-3,4-dihydropyrazole
CID 166809871

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol?
The IUPAC name of 2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol (CID 7570848) is 2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol?
The canonical SMILES for 2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol is CC(C)(O)[C@@H]1CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of 2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol?
The InChIKey is YYPJVEVRJMYYLS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2,21)17-13-16(14-9-5-3-6-10-14)19-20(17)15-11-7-4-8-12-15/h3-12,17,21H,13H2,1-2H3/t17-/m0/s1.
What are the key properties of 2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol?
2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol is sourced from PubChem (CID 7570848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).