2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one

C9H11N3O — CID 137277681

IUPAC2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCC(C)n1cc2c(=O)[nH]ccc2n1
InChIInChI=1S/C9H11N3O/c1-6(2)12-5-7-8(11-12)3-4-10-9(7)13/h3-6H,1-2H3,(H,10,13)
InChIKeyXYPWAGAPIWLILX-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.31
Rot. Bonds1

About 2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one

2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one (PubChem CID 137277681) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one
PubChem CID137277681
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one
SMILESCC(C)n1cc2c(=O)[nH]ccc2n1
InChIInChI=1S/C9H11N3O/c1-6(2)12-5-7-8(11-12)3-4-10-9(7)13/h3-6H,1-2H3,(H,10,13)
InChIKeyXYPWAGAPIWLILX-UHFFFAOYSA-N
XLogP1.31
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one?
The IUPAC name of 2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one (CID 137277681) is 2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one.
What is the SMILES notation for 2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one?
The canonical SMILES for 2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one is CC(C)n1cc2c(=O)[nH]ccc2n1.
What is the InChIKey of 2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one?
The InChIKey is XYPWAGAPIWLILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-6(2)12-5-7-8(11-12)3-4-10-9(7)13/h3-6H,1-2H3,(H,10,13).
What are the key properties of 2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one?
2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one has a molecular weight of 177.21 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5H-pyrazolo[4,3-c]pyridin-4-one is sourced from PubChem (CID 137277681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).