3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol

C9H7N3O — CID 169485143

IUPAC3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol
SMILESOCC#Cc1cc2cn[nH]c2cn1
InChIInChI=1S/C9H7N3O/c13-3-1-2-8-4-7-5-11-12-9(7)6-10-8/h4-6,13H,3H2,(H,11,12)
InChIKeyBEUHHENWWBAEGO-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.30
Rot. Bonds

About 3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol

3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol (PubChem CID 169485143) has the molecular formula C9H7N3O and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol
PubChem CID169485143
Molecular FormulaC9H7N3O
Molecular Weight173.17 g/mol
Exact Mass173.06
IUPAC Name3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol
SMILESOCC#Cc1cc2cn[nH]c2cn1
InChIInChI=1S/C9H7N3O/c13-3-1-2-8-4-7-5-11-12-9(7)6-10-8/h4-6,13H,3H2,(H,11,12)
InChIKeyBEUHHENWWBAEGO-UHFFFAOYSA-N
XLogP0.30
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-fluoro-1H-indazol-5-yl)methanol
CID 76846377
5-methylsulfanyl-1H-pyrazolo[3,4-c]pyridine
CID 156566273
ethane;5-propan-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 171795656
4-(1H-pyrazolo[3,4-c]pyridin-5-yl)but-3-enenitrile
CID 170799835
5-fluoro-2-(3-hydroxyprop-1-ynyl)pyridine-4-carbaldehyde
CID 169485084
3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-yn-1-ol
CID 169485147
N,N-dimethyl-5-(1H-pyrazolo[3,4-c]pyridin-5-yl)pyridin-3-amine
CID 126553618
3-(2-aminopyrimidin-4-yl)prop-2-yn-1-ol
CID 169484687
5,6-diethyl-1H-indazole
CID 123175477
2-(1H-indazol-5-yl)-2-methylpropan-1-ol
CID 117281905
6-but-1-ynyl-1H-indazole
CID 58499151
5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridine
CID 86676680

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol (CID 169485143) is 3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol is OCC#Cc1cc2cn[nH]c2cn1.
What is the InChIKey of 3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol?
The InChIKey is BEUHHENWWBAEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O/c13-3-1-2-8-4-7-5-11-12-9(7)6-10-8/h4-6,13H,3H2,(H,11,12).
What are the key properties of 3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol?
3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol has a molecular weight of 173.17 g/mol, XLogP of 0.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazolo[3,4-c]pyridin-5-yl)prop-2-yn-1-ol is sourced from PubChem (CID 169485143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).