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

C24H31N3O — CID 59836291

IUPAC1-phenyl-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(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C24H31N3O/c1-23(2)16-13-14-24(3,15-16)22(23)25-21(28)20-18-11-7-8-12-19(18)27(26-20)17-9-5-4-6-10-17/h4-6,9-10,16,22H,7-8,11-15H2,1-3H3,(H,25,28)
InChIKeyYFYVJCDILYSALF-UHFFFAOYSA-N
MW377.53 g/mol
LogP4.70
Rot. Bonds3

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

1-phenyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 59836291) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is 1-phenyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID59836291
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name1-phenyl-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(-c2ccccc2)c2c1CCCC2
InChIInChI=1S/C24H31N3O/c1-23(2)16-13-14-24(3,15-16)22(23)25-21(28)20-18-11-7-8-12-19(18)27(26-20)17-9-5-4-6-10-17/h4-6,9-10,16,22H,7-8,11-15H2,1-3H3,(H,25,28)
InChIKeyYFYVJCDILYSALF-UHFFFAOYSA-N
XLogP4.70
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836226
1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 163462572
1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836485
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-fluorophenyl)-7-(2-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836330
1-phenyl-N-pyrrolidin-3-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119450844
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
2-[(1-phenyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]acetic acid
CID 175587571
methyl 4-[(1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 86841540
N-[(3R)-2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl]-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 98212790
(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-(3,4-dihydro-2H-chromen-4-yl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 55773416

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-phenyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 59836291) is 1-phenyl-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-phenyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-phenyl-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(-c2ccccc2)c2c1CCCC2.
What is the InChIKey of 1-phenyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is YFYVJCDILYSALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-23(2)16-13-14-24(3,15-16)22(23)25-21(28)20-18-11-7-8-12-19(18)27(26-20)17-9-5-4-6-10-17/h4-6,9-10,16,22H,7-8,11-15H2,1-3H3,(H,25,28).
What are the key properties of 1-phenyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-phenyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 59836291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).