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

C8H13N3O — CID 83845996

IUPAC1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCC1Cc2c(c(=O)[nH]n2C)CN1
InChIInChI=1S/C8H13N3O/c1-5-3-7-6(4-9-5)8(12)10-11(7)2/h5,9H,3-4H2,1-2H3,(H,10,12)
InChIKeyHMTPLQCHMLJGHZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.25
Rot. Bonds

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

1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 83845996) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID83845996
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one
SMILESCC1Cc2c(c(=O)[nH]n2C)CN1
InChIInChI=1S/C8H13N3O/c1-5-3-7-6(4-9-5)8(12)10-11(7)2/h5,9H,3-4H2,1-2H3,(H,10,12)
InChIKeyHMTPLQCHMLJGHZ-UHFFFAOYSA-N
XLogP-0.25
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-(2-methylpropyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 83847631
1-methyl-2,4,5,7-tetrahydropyrano[3,4-c]pyrazol-3-one
CID 105430049
2-tert-butyl-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridin-3-one
CID 115026525
5-cyclopropyl-1-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 83847374
2-(1-methyl-3-oxo-4,5,6,7-tetrahydro-2H-indazol-5-yl)acetic acid
CID 83863903
2-methyl-6-(2-methylpropyl)-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 83847633
1,7-dimethyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 83848736
11-methyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 175829008
6-methyl-1,3,4,5,6,7-hexahydroimidazo[4,5-c]pyridin-2-one
CID 45083024
6-methoxy-3,5,8-trimethyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 84741614
(11R)-11-methyl-4-sulfanyl-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-dien-3-one
CID 167100484
1,6-dimethyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
CID 143479703

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one (CID 83845996) is 1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one is CC1Cc2c(c(=O)[nH]n2C)CN1.
What is the InChIKey of 1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is HMTPLQCHMLJGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-3-7-6(4-9-5)8(12)10-11(7)2/h5,9H,3-4H2,1-2H3,(H,10,12).
What are the key properties of 1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one?
1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 167.21 g/mol, XLogP of -0.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 83845996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).