5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C12H20N4O — CID 53015036

IUPAC5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1n[nH]c2c1CN(C(C)(C)C)CC2
InChIInChI=1S/C12H20N4O/c1-12(2,3)16-6-5-9-8(7-16)10(15-14-9)11(17)13-4/h5-7H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyWJBRULQQGBRQSC-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.93
Rot. Bonds1

About 5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 53015036) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID53015036
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCNC(=O)c1n[nH]c2c1CN(C(C)(C)C)CC2
InChIInChI=1S/C12H20N4O/c1-12(2,3)16-6-5-9-8(7-16)10(15-14-9)11(17)13-4/h5-7H2,1-4H3,(H,13,17)(H,14,15)
InChIKeyWJBRULQQGBRQSC-UHFFFAOYSA-N
XLogP0.93
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-tert-butyl-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 95990047
N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 50944244
4-[3-[3-(methylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propoxy]benzoic acid
CID 118781481
3-N-methyl-5-N-(2-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 119073052
N-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 74238727
5-[[2-[(2S)-butan-2-yl]sulfanylpyrimidin-5-yl]methyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 99939772
tert-butyl 3-(2-methoxyethylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 42873438
5-[2-hydroxy-3-(2-methylphenoxy)propanoyl]-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 118795917
tert-butyl 3-(butylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 82585306
3-N-methyl-5-N-[(1R)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxamide
CID 125441289
5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
2-[1-[[5-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl]amino]cyclopropyl]pyrimidine-5-carboxylic acid
CID 155259990

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 53015036) is 5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CNC(=O)c1n[nH]c2c1CN(C(C)(C)C)CC2.
What is the InChIKey of 5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is WJBRULQQGBRQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-12(2,3)16-6-5-9-8(7-16)10(15-14-9)11(17)13-4/h5-7H2,1-4H3,(H,13,17)(H,14,15).
What are the key properties of 5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 53015036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).