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

C7H11N3O — CID 5257607

IUPAC2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESCn1[nH]c2c(c1=O)CCNC2
InChIInChI=1S/C7H11N3O/c1-10-7(11)5-2-3-8-4-6(5)9-10/h8-9H,2-4H2,1H3
InChIKeyBFLCRUVCGPMVCK-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.64
Rot. Bonds

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

2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (PubChem CID 5257607) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
PubChem CID5257607
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
SMILESCn1[nH]c2c(c1=O)CCNC2
InChIInChI=1S/C7H11N3O/c1-10-7(11)5-2-3-8-4-6(5)9-10/h8-9H,2-4H2,1H3
InChIKeyBFLCRUVCGPMVCK-UHFFFAOYSA-N
XLogP-0.64
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one (CID 5257607) is 2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is Cn1[nH]c2c(c1=O)CCNC2.
What is the InChIKey of 2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
The InChIKey is BFLCRUVCGPMVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-10-7(11)5-2-3-8-4-6(5)9-10/h8-9H,2-4H2,1H3.
What are the key properties of 2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one?
2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one has a molecular weight of 153.19 g/mol, XLogP of -0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 5257607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).