4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol

C8H12N2O2 — CID 167041231

IUPAC4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol
SMILESOC(O)c1cc2n(n1)CCCC2
InChIInChI=1S/C8H12N2O2/c11-8(12)7-5-6-3-1-2-4-10(6)9-7/h5,8,11-12H,1-4H2
InChIKeyVAWVBBYYBXHLNX-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.20
Rot. Bonds1

About 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol

4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol (PubChem CID 167041231) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol.

Molecular Properties

Compound Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol
PubChem CID167041231
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol
SMILESOC(O)c1cc2n(n1)CCCC2
InChIInChI=1S/C8H12N2O2/c11-8(12)7-5-6-3-1-2-4-10(6)9-7/h5,8,11-12H,1-4H2
InChIKeyVAWVBBYYBXHLNX-UHFFFAOYSA-N
XLogP0.20
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine
CID 157380727
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carbaldehyde
CID 11845421
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine
CID 53397595
1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethanone
CID 82652358
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanamine;dihydrochloride
CID 122156683
N-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 53014497
1-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)propan-2-ol
CID 83675637
5-methyl-N-[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]-1,2-thiazole-3-carboxamide
CID 126834606
methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 118705226
2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
CID 89402114
ethane;2-methyl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 177243494
1-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-yl)ethyl]cyclopropan-1-amine
CID 105458179

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol?
The IUPAC name of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol (CID 167041231) is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol.
What is the SMILES notation for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol?
The canonical SMILES for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol is OC(O)c1cc2n(n1)CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol?
The InChIKey is VAWVBBYYBXHLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-8(12)7-5-6-3-1-2-4-10(6)9-7/h5,8,11-12H,1-4H2.
What are the key properties of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol?
4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol has a molecular weight of 168.20 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-2-ylmethanediol is sourced from PubChem (CID 167041231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).