1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C24H30ClN3O — CID 59836226

IUPAC1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCC2
InChIInChI=1S/C24H30ClN3O/c1-23(2)15-12-13-24(3,14-15)22(23)26-21(29)20-18-6-4-5-7-19(18)28(27-20)17-10-8-16(25)9-11-17/h8-11,15,22H,4-7,12-14H2,1-3H3,(H,26,29)
InChIKeyRMHFTJHRLKKPGF-UHFFFAOYSA-N
MW411.98 g/mol
LogP5.35
Rot. Bonds3

About 1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 59836226) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID59836226
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC Name1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC12CCC(C1)C(C)(C)C2NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCC2
InChIInChI=1S/C24H30ClN3O/c1-23(2)15-12-13-24(3,14-15)22(23)26-21(29)20-18-6-4-5-7-19(18)28(27-20)17-10-8-16(25)9-11-17/h8-11,15,22H,4-7,12-14H2,1-3H3,(H,26,29)
InChIKeyRMHFTJHRLKKPGF-UHFFFAOYSA-N
XLogP5.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.98
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836291
1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836485
1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 163462572
(7E)-7-[(4-chlorophenyl)methylidene]-1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-5,6-dihydro-4H-indazole-3-carboxamide
CID 11613896
N-(2-adamantyl)-1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;1-(2,4-dichlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl (2S,3R)-3-[[1-(2,4-dichlorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 162053438
1-(4-fluorophenyl)-7-(2-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836330
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;hydrochloride
CID 119627231
5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide
CID 90762489
1-(4-chlorophenyl)-N-[2-(methylamino)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 120829458
1-(4-chlorophenyl)-N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 86935888
1-(1-cyclohexyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]ethanone
CID 163778282
1-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 112841330

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 59836226) is 1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CC12CCC(C1)C(C)(C)C2NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCC2.
What is the InChIKey of 1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is RMHFTJHRLKKPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c1-23(2)15-12-13-24(3,14-15)22(23)26-21(29)20-18-6-4-5-7-19(18)28(27-20)17-10-8-16(25)9-11-17/h8-11,15,22H,4-7,12-14H2,1-3H3,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 411.98 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 59836226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).