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

C23H31N3O — CID 59836372

IUPAC1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC[C@@H](NC(=O)c1nn(C2CCCCC2)c2c1CCCC2)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-2-20(17-11-5-3-6-12-17)24-23(27)22-19-15-9-10-16-21(19)26(25-22)18-13-7-4-8-14-18/h3,5-6,11-12,18,20H,2,4,7-10,13-16H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyYHECPTJGJMDVFB-HXUWFJFHSA-N
MW365.52 g/mol
LogP5.15
Rot. Bonds5

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

1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 59836372) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID59836372
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC[C@@H](NC(=O)c1nn(C2CCCCC2)c2c1CCCC2)c1ccccc1
InChIInChI=1S/C23H31N3O/c1-2-20(17-11-5-3-6-12-17)24-23(27)22-19-15-9-10-16-21(19)26(25-22)18-13-7-4-8-14-18/h3,5-6,11-12,18,20H,2,4,7-10,13-16H2,1H3,(H,24,27)/t20-/m1/s1
InChIKeyYHECPTJGJMDVFB-HXUWFJFHSA-N
XLogP5.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

acetylene;1-cyclohexyl-N-[(1R)-2-hydroxy-1-phenylethyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide;ethane;1-fluoro-4-methylbenzene
CID 145479686
N-[(1R)-2-hydroxy-1-phenylethyl]-1-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 91104300
N-[1-(1-adamantyl)ethyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 66647671
N-[1-(1-adamantyl)ethyl]-1-cyclopentyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carboxamide
CID 16660513
1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836213
1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 141172641
N-[(1S)-1-cyclohexylethyl]-1-(1-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide;ethyl 1-cyclohexyl-3-[[(1R)-1-cyclohexylethyl]carbamoyl]-4,5,6,7-tetrahydroindazole-5-carboxylate;1-(1-phenylethyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 158434276
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 143116638
1-(1,1-dioxothiolan-3-yl)-N-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 17015956
1-phenyl-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110374225
N-[2-(dimethylamino)-1-phenylethyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 42939497

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 59836372) is 1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CC[C@@H](NC(=O)c1nn(C2CCCCC2)c2c1CCCC2)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is YHECPTJGJMDVFB-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H31N3O/c1-2-20(17-11-5-3-6-12-17)24-23(27)22-19-15-9-10-16-21(19)26(25-22)18-13-7-4-8-14-18/h3,5-6,11-12,18,20H,2,4,7-10,13-16H2,1H3,(H,24,27)/t20-/m1/s1.
What are the key properties of 1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 59836372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).