2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one

C10H15N3O — CID 58591099

IUPAC2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one
SMILESCC(C)C(=O)N1CCCc2[nH]ncc21
InChIInChI=1S/C10H15N3O/c1-7(2)10(14)13-5-3-4-8-9(13)6-11-12-8/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyAPWYPZVJYFIKDG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.34
Rot. Bonds1

About 2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one

2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one (PubChem CID 58591099) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one
PubChem CID58591099
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one
SMILESCC(C)C(=O)N1CCCc2[nH]ncc21
InChIInChI=1S/C10H15N3O/c1-7(2)10(14)13-5-3-4-8-9(13)6-11-12-8/h6-7H,3-5H2,1-2H3,(H,11,12)
InChIKeyAPWYPZVJYFIKDG-UHFFFAOYSA-N
XLogP1.34
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2H,4H,5H,6H,7H-pyrazolo[4,3-b]pyridine-4-carboxylate
CID 71299236
Pyrazolopiperidine
CID 20784738
Pyrazolopiperidinone
CID 69129225
N-[3-(piperidin-3-yl)-1H-pyrazol-4-yl]acetamide
CID 75480403
N-[3-(piperidin-3-yl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 75480407
1-[(2S)-2-hydroxy-3-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propyl]pyrrolidin-2-one
CID 122155597
[(1R)-2,2-difluorocyclopropyl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 164632703
1-[1-(1-fluoroethyl)-6,7-dihydro-5H-pyrazolo[4,5-b]pyridin-4-yl]-2-(2-methylhydrazinyl)ethanone
CID 147392310
Trifluoromethyl 1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine-4-carboxylate
CID 155644253
Pyrazolopiperidinone hydrochloride
CID 129765333
[(3S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)methanone
CID 120965655
3,3-Difluoro-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)butan-1-one
CID 126773974

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one (CID 58591099) is 2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one is CC(C)C(=O)N1CCCc2[nH]ncc21.
What is the InChIKey of 2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one?
The InChIKey is APWYPZVJYFIKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)10(14)13-5-3-4-8-9(13)6-11-12-8/h6-7H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one?
2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1,5,6,7-tetrahydropyrazolo[4,5-b]pyridin-4-yl)propan-1-one is sourced from PubChem (CID 58591099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).