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

C8H13N3O — CID 83846003

IUPAC2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESCC1NCCc2[nH]n(C)c(=O)c21
InChIInChI=1S/C8H13N3O/c1-5-7-6(3-4-9-5)10-11(2)8(7)12/h5,9-10H,3-4H2,1-2H3
InChIKeyKPNGKUWEUZDNOL-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.08
Rot. Bonds

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

2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 83846003) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID83846003
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one
SMILESCC1NCCc2[nH]n(C)c(=O)c21
InChIInChI=1S/C8H13N3O/c1-5-7-6(3-4-9-5)10-11(2)8(7)12/h5,9-10H,3-4H2,1-2H3
InChIKeyKPNGKUWEUZDNOL-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one (CID 83846003) is 2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is CC1NCCc2[nH]n(C)c(=O)c21.
What is the InChIKey of 2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is KPNGKUWEUZDNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-7-6(3-4-9-5)10-11(2)8(7)12/h5,9-10H,3-4H2,1-2H3.
What are the key properties of 2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one?
2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 167.21 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 83846003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).