2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol

C14H13N3O — CID 135929096

IUPAC2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol
SMILESOCc1[nH]nc2c1CCc1c-2[nH]c2ccccc12
InChIInChI=1S/C14H13N3O/c18-7-12-10-6-5-9-8-3-1-2-4-11(8)15-13(9)14(10)17-16-12/h1-4,15,18H,5-7H2,(H,16,17)
InChIKeyYYDWICBIUPSXIV-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.15
Rot. Bonds1

About 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol

2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol (PubChem CID 135929096) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol.

Molecular Properties

Compound Name2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol
PubChem CID135929096
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol
SMILESOCc1[nH]nc2c1CCc1c-2[nH]c2ccccc12
InChIInChI=1S/C14H13N3O/c18-7-12-10-6-5-9-8-3-1-2-4-11(8)15-13(9)14(10)17-16-12/h1-4,15,18H,5-7H2,(H,16,17)
InChIKeyYYDWICBIUPSXIV-UHFFFAOYSA-N
XLogP2.15
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[5-(1-Benzylindazol-3-yl)-1-methylpyrrol-2-yl]methanol
CID 11197913
[2-methyl-3-[(2-methyl-1H-indol-4-yl)methyl]-1H-indol-4-yl]methanol
CID 638843
3-Phenylindol-2-ylmethanol
CID 11770077
{5-[2-(1H-indol-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
CID 91793719
[8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2-methylquinolin-4-yl]methanol
CID 177660785
2,2,2-trifluoro-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]-1-[5-(hydroxymethyl)-2-pentyl-1H-pyrrol-3-yl]ethanol
CID 68821699
3-[2-[5-[(E)-3-fluoro-2-methyl-3-phosphanylprop-1-enyl]-4-methyl-1H-pyrazol-3-yl]-1H-indol-6-yl]pentan-3-ol
CID 136617461
[3-[5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl]-1H-indazol-6-yl]methanol
CID 136640448
(5-fluoro-1H-indol-2-yl)-(1H-indazol-4-ylamino)methanol
CID 155370370
1-{5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}ethane-1,2-diol
CID 90647815
(1R)-1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 100018096
(1S)-1-[5-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethane-1,2-diol
CID 100018100

Frequently Asked Questions

What is the IUPAC name of 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol?
The IUPAC name of 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol (CID 135929096) is 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol.
What is the SMILES notation for 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol?
The canonical SMILES for 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol is OCc1[nH]nc2c1CCc1c-2[nH]c2ccccc12.
What is the InChIKey of 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol?
The InChIKey is YYDWICBIUPSXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c18-7-12-10-6-5-9-8-3-1-2-4-11(8)15-13(9)14(10)17-16-12/h1-4,15,18H,5-7H2,(H,16,17).
What are the key properties of 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol?
2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol has a molecular weight of 239.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,10-tetrahydropyrazolo[3,4-a]carbazol-3-ylmethanol is sourced from PubChem (CID 135929096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).