4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one

C7H11N3O — CID 90899973

IUPAC4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one
SMILESCC1NCCc2[nH][nH]c(=O)c21
InChIInChI=1S/C7H11N3O/c1-4-6-5(2-3-8-4)9-10-7(6)11/h4,8H,2-3H2,1H3,(H2,9,10,11)
InChIKeyQCZAURSOGVHBKN-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.09
Rot. Bonds

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

4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 90899973) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID90899973
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one
SMILESCC1NCCc2[nH][nH]c(=O)c21
InChIInChI=1S/C7H11N3O/c1-4-6-5(2-3-8-4)9-10-7(6)11/h4,8H,2-3H2,1H3,(H2,9,10,11)
InChIKeyQCZAURSOGVHBKN-UHFFFAOYSA-N
XLogP-0.09
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one (CID 90899973) is 4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one is CC1NCCc2[nH][nH]c(=O)c21.
What is the InChIKey of 4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is QCZAURSOGVHBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-4-6-5(2-3-8-4)9-10-7(6)11/h4,8H,2-3H2,1H3,(H2,9,10,11).
What are the key properties of 4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one?
4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 153.19 g/mol, XLogP of -0.09, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,4,5,6,7-hexahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 90899973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).