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

C9H13N3O — CID 118491632

IUPAC1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone
SMILESCC(=O)N1CCc2c(n[nH]c2C)C1
InChIInChI=1S/C9H13N3O/c1-6-8-3-4-12(7(2)13)5-9(8)11-10-6/h3-5H2,1-2H3,(H,10,11)
InChIKeyNBJDGHROXSHPDF-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.62
Rot. Bonds

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

1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone (PubChem CID 118491632) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone
PubChem CID118491632
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone
SMILESCC(=O)N1CCc2c(n[nH]c2C)C1
InChIInChI=1S/C9H13N3O/c1-6-8-3-4-12(7(2)13)5-9(8)11-10-6/h3-5H2,1-2H3,(H,10,11)
InChIKeyNBJDGHROXSHPDF-UHFFFAOYSA-N
XLogP0.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 3-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 49759218
3-methyl-1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine
CID 71307611
tert-butyl 3-iodo-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 118561331
9-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56742112
11-[(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754333
N-tert-butyl-3-[3-(trifluoromethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
CID 72042931
tert-butyl 3-(aminomethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 71305925
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 86808592
N~1~-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N~1~-methyl-L-isoleucinamide
CID 90649673
N-[2-(3-ethyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoethyl]urea (non-preferred name)
CID 91771576
N-[(1S)-1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-2-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 97150111
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 97822331

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone?
The IUPAC name of 1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone (CID 118491632) is 1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone is CC(=O)N1CCc2c(n[nH]c2C)C1.
What is the InChIKey of 1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone?
The InChIKey is NBJDGHROXSHPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-8-3-4-12(7(2)13)5-9(8)11-10-6/h3-5H2,1-2H3,(H,10,11).
What are the key properties of 1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone?
1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone has a molecular weight of 179.22 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)ethanone is sourced from PubChem (CID 118491632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).