4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane

C12H23N3O — CID 142177700

IUPAC4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane
SMILESCC.CC.CC1C(=O)N(C)Cc2[nH]ncc21
InChIInChI=1S/C8H11N3O.2C2H6/c1-5-6-3-9-10-7(6)4-11(2)8(5)12;2*1-2/h3,5H,4H2,1-2H3,(H,9,10);2*1-2H3
InChIKeyPXFOISIRYCZEBM-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.54
Rot. Bonds

About 4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane

4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane (PubChem CID 142177700) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane.

Molecular Properties

Compound Name4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane
PubChem CID142177700
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane
SMILESCC.CC.CC1C(=O)N(C)Cc2[nH]ncc21
InChIInChI=1S/C8H11N3O.2C2H6/c1-5-6-3-9-10-7(6)4-11(2)8(5)12;2*1-2/h3,5H,4H2,1-2H3,(H,9,10);2*1-2H3
InChIKeyPXFOISIRYCZEBM-UHFFFAOYSA-N
XLogP2.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dihydro-1H-pyrazolo(3,4-c)pyridin-7(4H)-one
CID 17925794
1,1-Dimethylethyl 1,4,5,7-tetrahydro-6H-pyrazolo(3,4-c)pyridine-6-carboxylate
CID 57345832
(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71920573
(4-ethylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-4-yl)methanone
CID 71971097
cyclobutyl-[4-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 73439424
1,4,6,7-Tetrahydropyrazolo[5,4-c]pyridin-5-one
CID 135026570
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[4-(3-methylbutyl)piperazin-1-yl]propan-1-one
CID 97822331
(2S)-2-cyclopropyl-1-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 164643197
3-Methyl-6,7-dihydro-2H-pyrazolo[3,4-c]pyridin-5(4H)-one
CID 572770
2,2-Difluoro-1-{2h,4h,5h,6h,7h-pyrazolo[3,4-c]pyridin-6-yl}ethan-1-one
CID 130860841
2,2,2-Trifluoro-1-{2h,4h,5h,6h,7h-pyrazolo[3,4-c]pyridin-6-yl}ethan-1-one
CID 131186605
2-[Methyl(2,2,2-trifluoroethyl)amino]-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 132304952

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane?
The IUPAC name of 4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane (CID 142177700) is 4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane.
What is the SMILES notation for 4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane?
The canonical SMILES for 4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane is CC.CC.CC1C(=O)N(C)Cc2[nH]ncc21.
What is the InChIKey of 4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane?
The InChIKey is PXFOISIRYCZEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O.2C2H6/c1-5-6-3-9-10-7(6)4-11(2)8(5)12;2*1-2/h3,5H,4H2,1-2H3,(H,9,10);2*1-2H3.
What are the key properties of 4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane?
4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane has a molecular weight of 225.34 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-5-one;ethane is sourced from PubChem (CID 142177700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).