1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one

C10H17N3O — CID 83847627

IUPAC1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCC(C)N1CCc2c(n(C)[nH]c2=O)C1
InChIInChI=1S/C10H17N3O/c1-7(2)13-5-4-8-9(6-13)12(3)11-10(8)14/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyDYGPMTPBNWRHIV-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.48
Rot. Bonds1

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

1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 83847627) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
PubChem CID83847627
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
SMILESCC(C)N1CCc2c(n(C)[nH]c2=O)C1
InChIInChI=1S/C10H17N3O/c1-7(2)13-5-4-8-9(6-13)12(3)11-10(8)14/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyDYGPMTPBNWRHIV-UHFFFAOYSA-N
XLogP0.48
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one (CID 83847627) is 1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is CC(C)N1CCc2c(n(C)[nH]c2=O)C1.
What is the InChIKey of 1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is DYGPMTPBNWRHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)13-5-4-8-9(6-13)12(3)11-10(8)14/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of 1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one?
1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 195.27 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-yl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 83847627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).