N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C21H29N3O — CID 11631469

IUPACN-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1nn(Cc2ccc(C)cc2)c2c1CCCC2
InChIInChI=1S/C21H29N3O/c1-5-21(3,4)22-20(25)19-17-8-6-7-9-18(17)24(23-19)14-16-12-10-15(2)11-13-16/h10-13H,5-9,14H2,1-4H3,(H,22,25)
InChIKeyMEUVBMNWLMRRRQ-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.04
Rot. Bonds5

About N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 11631469) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID11631469
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC NameN-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1nn(Cc2ccc(C)cc2)c2c1CCCC2
InChIInChI=1S/C21H29N3O/c1-5-21(3,4)22-20(25)19-17-8-6-7-9-18(17)24(23-19)14-16-12-10-15(2)11-13-16/h10-13H,5-9,14H2,1-4H3,(H,22,25)
InChIKeyMEUVBMNWLMRRRQ-UHFFFAOYSA-N
XLogP4.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119521520
1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 143116638
1-benzyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 59836272
N-(1-amino-2-methylpropan-2-yl)-1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119521670
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55597509
methyl 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 58267515
1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 58713629
N-(2-amino-2-ethylbutyl)-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 119639837
[(2S,3R)-3-[(1-benzyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)amino]-2-bicyclo[2.2.1]heptanyl] ethyl carbonate
CID 66647637
ethyl [(2R,3S)-3-[(1-benzyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]-2-bicyclo[2.2.1]heptanyl]sulfanylformate
CID 163676047
N-[2-(methylamino)ethyl]-1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 119503192
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42492084

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 11631469) is N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CCC(C)(C)NC(=O)c1nn(Cc2ccc(C)cc2)c2c1CCCC2.
What is the InChIKey of N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is MEUVBMNWLMRRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-5-21(3,4)22-20(25)19-17-8-6-7-9-18(17)24(23-19)14-16-12-10-15(2)11-13-16/h10-13H,5-9,14H2,1-4H3,(H,22,25).
What are the key properties of N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 339.48 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 11631469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).