1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C17H28N4O3S — CID 136546225

IUPAC1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC(NC(=O)c2nn(C)c3c2CCCC3)CC1
InChIInChI=1S/C17H28N4O3S/c1-12(2)25(23,24)21-10-8-13(9-11-21)18-17(22)16-14-6-4-5-7-15(14)20(3)19-16/h12-13H,4-11H2,1-3H3,(H,18,22)
InChIKeyHKVXAIRFHVFZOC-UHFFFAOYSA-N
MW368.50 g/mol
LogP1.23
Rot. Bonds4

About 1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 136546225) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID136546225
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C)S(=O)(=O)N1CCC(NC(=O)c2nn(C)c3c2CCCC3)CC1
InChIInChI=1S/C17H28N4O3S/c1-12(2)25(23,24)21-10-8-13(9-11-21)18-17(22)16-14-6-4-5-7-15(14)20(3)19-16/h12-13H,4-11H2,1-3H3,(H,18,22)
InChIKeyHKVXAIRFHVFZOC-UHFFFAOYSA-N
XLogP1.23
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-4-yl]acetamide
CID 146552688
1-methyl-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 95197422
1-methyl-N-[(3S)-1-oxaspiro[4.5]decan-3-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 126434580
1-methyl-N-(6-oxaspiro[3.4]octan-2-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 166283970
N-[(1R,5R,6S,7S)-7-cyclopentyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 133260460
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110388981
methyl 4-[(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 86841540
N-cyclopentyl-5-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26137951
1-methyl-N-(4-propan-2-ylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389080
N-(3-bromo-4-methylphenyl)-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389094
N-cyclopentyl-1-methyl-5-(4-piperidin-1-ylbenzoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26228822
N-(1-cyclopropylpiperidin-4-yl)-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 48673792

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 136546225) is 1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(C)S(=O)(=O)N1CCC(NC(=O)c2nn(C)c3c2CCCC3)CC1.
What is the InChIKey of 1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is HKVXAIRFHVFZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-12(2)25(23,24)21-10-8-13(9-11-21)18-17(22)16-14-6-4-5-7-15(14)20(3)19-16/h12-13H,4-11H2,1-3H3,(H,18,22).
What are the key properties of 1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-propan-2-ylsulfonylpiperidin-4-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 136546225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).