[(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol

C10H16N2O2 — CID 12072409

IUPAC[(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
SMILESCCn1ncc2c1[C@H](CO)C[C@@H]2CO
InChIInChI=1S/C10H16N2O2/c1-2-12-10-8(6-14)3-7(5-13)9(10)4-11-12/h4,7-8,13-14H,2-3,5-6H2,1H3/t7-,8+/m1/s1
InChIKeyOEDGINKSRISSJT-SFYZADRCSA-N
MW196.25 g/mol
LogP0.46
Rot. Bonds3

About [(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol

[(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol (PubChem CID 12072409) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is [(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
PubChem CID12072409
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name[(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
SMILESCCn1ncc2c1[C@H](CO)C[C@@H]2CO
InChIInChI=1S/C10H16N2O2/c1-2-12-10-8(6-14)3-7(5-13)9(10)4-11-12/h4,7-8,13-14H,2-3,5-6H2,1H3/t7-,8+/m1/s1
InChIKeyOEDGINKSRISSJT-SFYZADRCSA-N
XLogP0.46
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol with MolForge

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Related Compounds

[2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol
CID 167467523
[1-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol
CID 167468078
[1-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl]methanol
CID 175567657
[2-(1,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl]methanol
CID 175567876
[(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
CID 102511471
CID 134855318
CID 134855318
[(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
CID 134973456
[(4S,6R)-2-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
CID 12072410
2-[1,4-bis(propan-2-yl)-1H-pyrazol-3-yl]ethan-1-ol
CID 146648196
(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl)methanol
CID 169855374
(1-ethyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-yl)methanol
CID 169855375
2-(3-Ethyl-1-methylpyrazol-4-yl)propan-1-ol
CID 170048436

Frequently Asked Questions

What is the IUPAC name of [(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol?
The IUPAC name of [(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol (CID 12072409) is [(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol.
What is the SMILES notation for [(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol?
The canonical SMILES for [(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol is CCn1ncc2c1[C@H](CO)C[C@@H]2CO.
What is the InChIKey of [(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol?
The InChIKey is OEDGINKSRISSJT-SFYZADRCSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-12-10-8(6-14)3-7(5-13)9(10)4-11-12/h4,7-8,13-14H,2-3,5-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of [(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol?
[(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol has a molecular weight of 196.25 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,6R)-1-ethyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol is sourced from PubChem (CID 12072409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).