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

C24H30FN3O — CID 163462572

IUPAC1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC1(C)C2CC[C@@](C)(C2)C1NC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2
InChIInChI=1S/C24H30FN3O/c1-23(2)15-11-12-24(3,14-15)22(23)26-21(29)20-18-9-4-5-10-19(18)28(27-20)17-8-6-7-16(25)13-17/h6-8,13,15,22H,4-5,9-12,14H2,1-3H3,(H,26,29)/t15?,22?,24-/m0/s1
InChIKeyBPWCBEJMEVJKPM-IKQVNCIXSA-N
MW395.52 g/mol
LogP4.83
Rot. Bonds3

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

1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 163462572) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID163462572
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC1(C)C2CC[C@@](C)(C2)C1NC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2
InChIInChI=1S/C24H30FN3O/c1-23(2)15-11-12-24(3,14-15)22(23)26-21(29)20-18-9-4-5-10-19(18)28(27-20)17-8-6-7-16(25)13-17/h6-8,13,15,22H,4-5,9-12,14H2,1-3H3,(H,26,29)/t15?,22?,24-/m0/s1
InChIKeyBPWCBEJMEVJKPM-IKQVNCIXSA-N
XLogP4.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-chlorophenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836226
1-(4-methoxyphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836485
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
2-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
CID 122107107
1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 16773246
3-[[1-(3-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 122111289
5-methyl-1-phenyl-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]imidazole-4-carboxamide
CID 90762489
4-[[1-(3-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]-2,2-dimethylbutanoic acid
CID 122109214
3-[[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 122107981
1-[1-(3-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 122109455
1-[1-(3-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 122108873

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 163462572) is 1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CC1(C)C2CC[C@@](C)(C2)C1NC(=O)c1nn(-c2cccc(F)c2)c2c1CCCC2.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is BPWCBEJMEVJKPM-IKQVNCIXSA-N. The full InChI is InChI=1S/C24H30FN3O/c1-23(2)15-11-12-24(3,14-15)22(23)26-21(29)20-18-9-4-5-10-19(18)28(27-20)17-8-6-7-16(25)13-17/h6-8,13,15,22H,4-5,9-12,14H2,1-3H3,(H,26,29)/t15?,22?,24-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 395.52 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(1S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 163462572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).