1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C23H25N3O — CID 143116638

IUPAC1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1nn(Cc2ccccc2)c2c1CCCC2)c1ccccc1
InChIInChI=1S/C23H25N3O/c1-17(19-12-6-3-7-13-19)24-23(27)22-20-14-8-9-15-21(20)26(25-22)16-18-10-4-2-5-11-18/h2-7,10-13,17H,8-9,14-16H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeySRCGLUWJMIPRAU-QGZVFWFLSA-N
MW359.47 g/mol
LogP4.30
Rot. Bonds5

About 1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 143116638) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID143116638
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESC[C@@H](NC(=O)c1nn(Cc2ccccc2)c2c1CCCC2)c1ccccc1
InChIInChI=1S/C23H25N3O/c1-17(19-12-6-3-7-13-19)24-23(27)22-20-14-8-9-15-21(20)26(25-22)16-18-10-4-2-5-11-18/h2-7,10-13,17H,8-9,14-16H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeySRCGLUWJMIPRAU-QGZVFWFLSA-N
XLogP4.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-8-phenyl-N-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 58882470
1-benzyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 59836272
methyl 2-[(1-benzyl-4,5,6,7-tetrahydroindazole-3-carbonyl)amino]-3-(3,4-dihydroxyphenyl)propanoate
CID 59836320
1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 58713629
1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45163222
N-[1-(4-fluorophenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42929735
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
N-(2-methylbutan-2-yl)-1-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 11631469
1-benzyl-5-(dimethylamino)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162755
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 25491200
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 91104300
4-benzyl-3,5-dioxo-2-phenyl-N-[(1R)-1-phenylethyl]-1,2,4-triazine-6-carboxamide
CID 93159027

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 143116638) is 1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is C[C@@H](NC(=O)c1nn(Cc2ccccc2)c2c1CCCC2)c1ccccc1.
What is the InChIKey of 1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is SRCGLUWJMIPRAU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17(19-12-6-3-7-13-19)24-23(27)22-20-14-8-9-15-21(20)26(25-22)16-18-10-4-2-5-11-18/h2-7,10-13,17H,8-9,14-16H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of 1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 143116638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).