[(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol

C15H18N2O2 — CID 102511471

IUPAC[(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
SMILESOC[C@@H]1C[C@H](CO)c2nn(Cc3ccccc3)cc21
InChIInChI=1S/C15H18N2O2/c18-9-12-6-13(10-19)15-14(12)8-17(16-15)7-11-4-2-1-3-5-11/h1-5,8,12-13,18-19H,6-7,9-10H2/t12-,13+/m0/s1
InChIKeyJLDASJUDQPHYLU-QWHCGFSZSA-N
MW258.32 g/mol
LogP1.49
Rot. Bonds4

About [(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol

[(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol (PubChem CID 102511471) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
PubChem CID102511471
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
SMILESOC[C@@H]1C[C@H](CO)c2nn(Cc3ccccc3)cc21
InChIInChI=1S/C15H18N2O2/c18-9-12-6-13(10-19)15-14(12)8-17(16-15)7-11-4-2-1-3-5-11/h1-5,8,12-13,18-19H,6-7,9-10H2/t12-,13+/m0/s1
InChIKeyJLDASJUDQPHYLU-QWHCGFSZSA-N
XLogP1.49
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(4R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
CID 102145865
[(4R,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol
CID 102145867
(1S,7R,8R,9S)-4-benzyl-3,4-diazatricyclo[5.2.1.02,6]deca-2,5-diene-8,9-diol
CID 102511473
[(4R,6S)-2-benzyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
CID 134969927
[(4R,6S)-4-(azidomethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methoxy-tert-butyl-diphenylsilane
CID 134970994
[(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
CID 134973456
[(4S,6R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]methanol
CID 134973457
CID 134973464
CID 134973464
3-(1-Cyclopentylpyrazol-3-yl)-2-(3-fluorophenyl)propan-1-ol
CID 79431455
3-(1-Cyclopentylpyrazol-3-yl)-2-(4-fluorophenyl)propan-1-ol
CID 79432857
3-(1-Cyclopentylpyrazol-3-yl)-2-(2-fluorophenyl)propan-1-ol
CID 79438611
2-(1-(2-fluoroethyl)-3-phenyl-1H-pyrazol-4-yl)ethan-1-ol
CID 121213858

Frequently Asked Questions

What is the IUPAC name of [(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol?
The IUPAC name of [(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol (CID 102511471) is [(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol.
What is the SMILES notation for [(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol?
The canonical SMILES for [(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol is OC[C@@H]1C[C@H](CO)c2nn(Cc3ccccc3)cc21.
What is the InChIKey of [(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol?
The InChIKey is JLDASJUDQPHYLU-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-9-12-6-13(10-19)15-14(12)8-17(16-15)7-11-4-2-1-3-5-11/h1-5,8,12-13,18-19H,6-7,9-10H2/t12-,13+/m0/s1.
What are the key properties of [(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol?
[(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol has a molecular weight of 258.32 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol is sourced from PubChem (CID 102511471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).