[3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol

C17H18N2O2 — CID 72734788

IUPAC[3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol
SMILESOCC1(CO)CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C17H18N2O2/c20-12-17(13-21)11-16(14-7-3-1-4-8-14)18-19(17)15-9-5-2-6-10-15/h1-10,20-21H,11-13H2
InChIKeySJLHEHVMNXPJHR-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.02
Rot. Bonds4

About [3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol

[3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol (PubChem CID 72734788) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is [3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol
PubChem CID72734788
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name[3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol
SMILESOCC1(CO)CC(c2ccccc2)=NN1c1ccccc1
InChIInChI=1S/C17H18N2O2/c20-12-17(13-21)11-16(14-7-3-1-4-8-14)18-19(17)15-9-5-2-6-10-15/h1-10,20-21H,11-13H2
InChIKeySJLHEHVMNXPJHR-UHFFFAOYSA-N
XLogP2.02
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-methyl-1,3,5-triphenyl-4H-pyrazole
CID 7374228
5-methyl-1,3,5-triphenyl-4H-pyrazole
CID 3124415
5-ethenyl-1,3,5-triphenyl-4H-pyrazole
CID 13152578
2-(4,6-dimethylpyrimidin-2-yl)-3,5-diphenyl-4H-pyrazol-3-ol
CID 4963076
3-(2,3,5-triphenyl-4H-pyrazol-3-yl)-1H-indole
CID 134948076
methyl 5-(4-methoxyphenyl)-3-methyl-2-phenyl-4H-pyrazole-3-carboxylate
CID 11472785
2-[(3S)-2,5-diphenyl-3,4-dihydropyrazol-3-yl]propan-2-ol
CID 7570848
5-cyclopropyl-1-naphthalen-2-yl-3-phenyl-5-(trifluoromethyl)-4H-pyrazole
CID 177454345
1-(5-hydroxy-5-methyl-3-phenyl-4H-pyrazol-1-yl)ethanone
CID 3714362
(3,5-diphenyl-4H-1,2-oxazol-5-yl)methanol
CID 14688929
6-phenyl-4-prop-2-enyl-4,5-diazaspiro[2.4]hept-5-ene
CID 101471572
(3S)-5-(2-hydroxyphenyl)-2-phenyl-3-(trifluoromethyl)-4H-pyrazol-3-ol
CID 136677513

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol (CID 72734788) is [3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol is OCC1(CO)CC(c2ccccc2)=NN1c1ccccc1.
What is the InChIKey of [3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol?
The InChIKey is SJLHEHVMNXPJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-12-17(13-21)11-16(14-7-3-1-4-8-14)18-19(17)15-9-5-2-6-10-15/h1-10,20-21H,11-13H2.
What are the key properties of [3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol?
[3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol has a molecular weight of 282.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-2,5-diphenyl-4H-pyrazol-3-yl]methanol is sourced from PubChem (CID 72734788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).