1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide

C17H22N4O — CID 108781376

IUPAC1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
SMILESCC(C)(C)n1ncc2c1CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C17H22N4O/c1-17(2,3)21-15-9-10-20(12-13(15)11-18-21)16(22)19-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3,(H,19,22)
InChIKeyZFLKCZFGBRROSG-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.23
Rot. Bonds1

About 1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide

1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide (PubChem CID 108781376) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
PubChem CID108781376
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
SMILESCC(C)(C)n1ncc2c1CCN(C(=O)Nc1ccccc1)C2
InChIInChI=1S/C17H22N4O/c1-17(2,3)21-15-9-10-20(12-13(15)11-18-21)16(22)19-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3,(H,19,22)
InChIKeyZFLKCZFGBRROSG-UHFFFAOYSA-N
XLogP3.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2,2,2-trichloroethanone
CID 108732144
2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108755633
3-bromo-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 108732236
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 108732113
2-bromo-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 108732170
4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide
CID 108755611
4-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 108755676
5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-3,4-diphenyl-1H-pyridazin-6-one
CID 108732196
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(2,4-dichlorophenyl)methanone
CID 108732172
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(2,3-dimethylquinoxalin-6-yl)methanone
CID 108755726
5-oxo-N-phenyl-2,4-dihydro-1H-3-benzazepine-3-carboxamide
CID 14267826
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The IUPAC name of 1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide (CID 108781376) is 1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The canonical SMILES for 1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide is CC(C)(C)n1ncc2c1CCN(C(=O)Nc1ccccc1)C2.
What is the InChIKey of 1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
The InChIKey is ZFLKCZFGBRROSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-17(2,3)21-15-9-10-20(12-13(15)11-18-21)16(22)19-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3,(H,19,22).
What are the key properties of 1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide?
1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide is sourced from PubChem (CID 108781376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).