N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

C17H22N4O — CID 82585400

IUPACN-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C17H22N4O/c1-17(2,3)11-4-6-12(7-5-11)19-16(22)15-13-10-18-9-8-14(13)20-21-15/h4-7,18H,8-10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyVSIJXNJTLXGPLE-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.61
Rot. Bonds2

About N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 82585400) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID82585400
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C17H22N4O/c1-17(2,3)11-4-6-12(7-5-11)19-16(22)15-13-10-18-9-8-14(13)20-21-15/h4-7,18H,8-10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyVSIJXNJTLXGPLE-UHFFFAOYSA-N
XLogP2.61
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585402
N-[4-(trifluoromethoxy)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585449
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585407
N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 50944244
N-(2-propan-2-yloxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585410
N-[2-(diethylcarbamoyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 126785061
N-phenyl-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 53017362
N-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 90935150
N-[(2-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585352
4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 56832020
N-(4-ethoxyphenyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388915
N-[3-(dimethylamino)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 56832173

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 82585400) is N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(C)(C)c1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is VSIJXNJTLXGPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-17(2,3)11-4-6-12(7-5-11)19-16(22)15-13-10-18-9-8-14(13)20-21-15/h4-7,18H,8-10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.61, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 82585400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).