1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol

C10H12N2O — CID 91598643

IUPAC1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol
SMILESOC1CCC2=C1Cc1cn[nH]c1C2
InChIInChI=1S/C10H12N2O/c13-10-2-1-6-4-9-7(3-8(6)10)5-11-12-9/h5,10,13H,1-4H2,(H,11,12)
InChIKeyCNYSFRNAVGNNIH-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.96
Rot. Bonds

About 1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol

1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol (PubChem CID 91598643) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol.

Molecular Properties

Compound Name1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol
PubChem CID91598643
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol
SMILESOC1CCC2=C1Cc1cn[nH]c1C2
InChIInChI=1S/C10H12N2O/c13-10-2-1-6-4-9-7(3-8(6)10)5-11-12-9/h5,10,13H,1-4H2,(H,11,12)
InChIKeyCNYSFRNAVGNNIH-UHFFFAOYSA-N
XLogP0.96
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 57671326
4,5,6,7-tetrahydro-1H-indazol-6-ol
CID 71695301
3-(3-Heptafluoropropyl-1H-pyrazol-4-yl)-propan-1-ol
CID 9971658
3-(3-Undecafluoropentyl-1H-pyrazol-4-yl)-propan-1-ol
CID 10475700
3-[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1H-pyrazol-4-yl]propan-1-ol
CID 10097250
1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]decan-5-ol
CID 150334553
(2S)-4-[3-(trifluoromethyl)-1H-pyrazol-4-yl]butan-2-ol
CID 165709659
(2R)-4-[3-(trifluoromethyl)-1H-pyrazol-4-yl]butan-2-ol
CID 165736698
4-[3-(trifluoromethyl)-1H-pyrazol-4-yl]butan-2-ol
CID 165751816
4,5,6,7-tetrahydro-1H-indazol-5-ylmethanol
CID 55253391
3,4-Diazatricyclo[8.4.0.02,6]tetradeca-2(6),4-dien-12-ol
CID 68291854
(5-pentyl-1H-pyrazol-4-yl)methanol
CID 69725501

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol?
The IUPAC name of 1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol (CID 91598643) is 1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol.
What is the SMILES notation for 1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol?
The canonical SMILES for 1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol is OC1CCC2=C1Cc1cn[nH]c1C2.
What is the InChIKey of 1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol?
The InChIKey is CNYSFRNAVGNNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c13-10-2-1-6-4-9-7(3-8(6)10)5-11-12-9/h5,10,13H,1-4H2,(H,11,12).
What are the key properties of 1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol?
1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol has a molecular weight of 176.22 g/mol, XLogP of 0.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6,7,8-hexahydrocyclopenta[f]indazol-5-ol is sourced from PubChem (CID 91598643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).