1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone

C11H17N3O — CID 118489164

IUPAC1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
SMILESCC(=O)N1CCc2c(C(C)C)n[nH]c2C1
InChIInChI=1S/C11H17N3O/c1-7(2)11-9-4-5-14(8(3)15)6-10(9)12-13-11/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyCHPIDZAHQVIFKZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.44
Rot. Bonds1

About 1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone

1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone (PubChem CID 118489164) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
PubChem CID118489164
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
SMILESCC(=O)N1CCc2c(C(C)C)n[nH]c2C1
InChIInChI=1S/C11H17N3O/c1-7(2)11-9-4-5-14(8(3)15)6-10(9)12-13-11/h7H,4-6H2,1-3H3,(H,12,13)
InChIKeyCHPIDZAHQVIFKZ-UHFFFAOYSA-N
XLogP1.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
The IUPAC name of 1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone (CID 118489164) is 1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone is CC(=O)N1CCc2c(C(C)C)n[nH]c2C1.
What is the InChIKey of 1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
The InChIKey is CHPIDZAHQVIFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7(2)11-9-4-5-14(8(3)15)6-10(9)12-13-11/h7H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone?
1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone has a molecular weight of 207.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone is sourced from PubChem (CID 118489164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).