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

C9H14N2O2 — CID 134973456

IUPAC[(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
SMILESCn1ncc2c1[C@@H](CO)C[C@H]2CO
InChIInChI=1S/C9H14N2O2/c1-11-9-7(5-13)2-6(4-12)8(9)3-10-11/h3,6-7,12-13H,2,4-5H2,1H3/t6-,7+/m0/s1
InChIKeyHZAWFCSAPWSVIN-NKWVEPMBSA-N
MW182.22 g/mol
LogP-0.02
Rot. Bonds2

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

[(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol (PubChem CID 134973456) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is [(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
PubChem CID134973456
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name[(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol
SMILESCn1ncc2c1[C@@H](CO)C[C@H]2CO
InChIInChI=1S/C9H14N2O2/c1-11-9-7(5-13)2-6(4-12)8(9)3-10-11/h3,6-7,12-13H,2,4-5H2,1H3/t6-,7+/m0/s1
InChIKeyHZAWFCSAPWSVIN-NKWVEPMBSA-N
XLogP-0.02
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(4R,6S)-6-(hydroxymethyl)-1-methyl-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
(1S,7R,8R,9S)-3-methyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-8,9-diol
CID 21577429
3-Methyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-8,9-diol
CID 73803086
[(4R,6S)-2-benzyl-6-(hydroxymethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-4-yl]methanol
CID 102511471
CID 134855318
CID 134855318
[(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-(4-Ethyl-1-methylpyrazol-5-yl)ethanol
CID 163496604
(2-ethyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-5-yl)methanol
CID 169855374

Frequently Asked Questions

What is the IUPAC name of [(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol?
The IUPAC name of [(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol (CID 134973456) is [(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol.
What is the SMILES notation for [(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol?
The canonical SMILES for [(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol is Cn1ncc2c1[C@@H](CO)C[C@H]2CO.
What is the InChIKey of [(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol?
The InChIKey is HZAWFCSAPWSVIN-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11-9-7(5-13)2-6(4-12)8(9)3-10-11/h3,6-7,12-13H,2,4-5H2,1H3/t6-,7+/m0/s1.
What are the key properties of [(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol?
[(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol has a molecular weight of 182.22 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6S)-6-(hydroxymethyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl]methanol is sourced from PubChem (CID 134973456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).