2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one

C13H15N3O — CID 22557119

IUPAC2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESO=c1c2c([nH]n1Cc1ccccc1)CCNC2
InChIInChI=1S/C13H15N3O/c17-13-11-8-14-7-6-12(11)15-16(13)9-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2
InChIKeyPRRHYVHHAPBLLV-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.87
Rot. Bonds2

About 2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one

2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 22557119) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID22557119
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESO=c1c2c([nH]n1Cc1ccccc1)CCNC2
InChIInChI=1S/C13H15N3O/c17-13-11-8-14-7-6-12(11)15-16(13)9-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2
InChIKeyPRRHYVHHAPBLLV-UHFFFAOYSA-N
XLogP0.87
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Cambridge id 6660117
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1-benzyl-1,2,5,6,7,8-hexahydropyrazolo[4,3-d]azepin-3(4H)-one
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N-(2,2-diphenylethyl)-2,3-dimethyl-5-oxo-1H-pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (CID 22557119) is 2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is O=c1c2c([nH]n1Cc1ccccc1)CCNC2.
What is the InChIKey of 2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is PRRHYVHHAPBLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c17-13-11-8-14-7-6-12(11)15-16(13)9-10-4-2-1-3-5-10/h1-5,14-15H,6-9H2.
What are the key properties of 2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 229.28 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 22557119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).