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

C9H12BrN3O — CID 121365379

IUPAC1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2[nH]nc(Br)c2C1C
InChIInChI=1S/C9H12BrN3O/c1-5-8-7(11-12-9(8)10)3-4-13(5)6(2)14/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyOLNBRLZIPCPKQG-UHFFFAOYSA-N
MW258.12 g/mol
LogP1.64
Rot. Bonds

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

1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 121365379) has the molecular formula C9H12BrN3O and a molecular weight of 258.12 g/mol. Its IUPAC name is 1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID121365379
Molecular FormulaC9H12BrN3O
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2[nH]nc(Br)c2C1C
InChIInChI=1S/C9H12BrN3O/c1-5-8-7(11-12-9(8)10)3-4-13(5)6(2)14/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyOLNBRLZIPCPKQG-UHFFFAOYSA-N
XLogP1.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 121365379) is 1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is CC(=O)N1CCc2[nH]nc(Br)c2C1C.
What is the InChIKey of 1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is OLNBRLZIPCPKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O/c1-5-8-7(11-12-9(8)10)3-4-13(5)6(2)14/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 258.12 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 121365379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).