1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one

C13H21N3O — CID 118493473

IUPAC1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one
SMILESCCc1n[nH]c2c1CCN(C(=O)C(C)(C)C)C2
InChIInChI=1S/C13H21N3O/c1-5-10-9-6-7-16(8-11(9)15-14-10)12(17)13(2,3)4/h5-8H2,1-4H3,(H,14,15)
InChIKeyNMWDNEMTEFHVKF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.90
Rot. Bonds1

About 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one

1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one (PubChem CID 118493473) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one
PubChem CID118493473
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one
SMILESCCc1n[nH]c2c1CCN(C(=O)C(C)(C)C)C2
InChIInChI=1S/C13H21N3O/c1-5-10-9-6-7-16(8-11(9)15-14-10)12(17)13(2,3)4/h5-8H2,1-4H3,(H,14,15)
InChIKeyNMWDNEMTEFHVKF-UHFFFAOYSA-N
XLogP1.90
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carbonitrile
CID 118493387
5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 123429999
(2-ethylpyrimidin-5-yl)-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 72869094
tert-butyl 3-ethoxy-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 118570120
5-tert-butylsulfonyl-3-ethyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole
CID 118493359
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 71773207
tert-butyl 3-(aminomethyl)-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepine-6-carboxylate
CID 83866798
6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 110447010
2-(5-aminotetrazol-1-yl)-1-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 131900832
tert-butyl 3-(4-acetylpiperazine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84576063
tert-butyl 3-(trifluoromethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 50992799
1-(3-propan-2-yl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)ethanone
CID 118489164

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one (CID 118493473) is 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one is CCc1n[nH]c2c1CCN(C(=O)C(C)(C)C)C2.
What is the InChIKey of 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one?
The InChIKey is NMWDNEMTEFHVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-5-10-9-6-7-16(8-11(9)15-14-10)12(17)13(2,3)4/h5-8H2,1-4H3,(H,14,15).
What are the key properties of 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one?
1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 118493473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).