1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C23H29N3O3 — CID 59836213

IUPAC1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2nn(C3CCCCC3)c3c2CCCC3)cc1
InChIInChI=1S/C23H29N3O3/c1-29-18-13-11-16(12-14-18)21(27)15-24-23(28)22-19-9-5-6-10-20(19)26(25-22)17-7-3-2-4-8-17/h11-14,17H,2-10,15H2,1H3,(H,24,28)
InChIKeyWYHZOBWINFTTBB-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.89
Rot. Bonds6

About 1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 59836213) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID59836213
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCOc1ccc(C(=O)CNC(=O)c2nn(C3CCCCC3)c3c2CCCC3)cc1
InChIInChI=1S/C23H29N3O3/c1-29-18-13-11-16(12-14-18)21(27)15-24-23(28)22-19-9-5-6-10-20(19)26(25-22)17-7-3-2-4-8-17/h11-14,17H,2-10,15H2,1H3,(H,24,28)
InChIKeyWYHZOBWINFTTBB-UHFFFAOYSA-N
XLogP3.89
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-[(1R)-1-phenylpropyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 59836372
1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 141172641
2-(cycloheptylamino)-1-(4-methoxyphenyl)ethanone
CID 2404150
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
1-(1,1-dioxothiolan-3-yl)-N-(4-ethoxyphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 110210589
methyl 4-[[1-(1,1-dioxothiolan-3-yl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]benzoate
CID 17015943
1-cyclohexyl-5-[(4-methoxybenzoyl)amino]pyrazolo[5,4-d][1,3]thiazole-3-carboxylic acid
CID 59001193
N-[1-(1-adamantyl)ethyl]-1-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 66647671
1-cyclohexyl-N-[(1R)-1-cyclohexylethyl]-N-propan-2-yl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 71017183
N-[2-(4-methoxyphenoxy)ethyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55598782
1-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-3-(2-methoxyethyl)urea
CID 71808441
ethyl 7-[(1-cyclohexyl-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole-3-carbonyl)amino]tricyclo[4.2.0.01,3]octane-7-carboxylate
CID 70850439

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 59836213) is 1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is COc1ccc(C(=O)CNC(=O)c2nn(C3CCCCC3)c3c2CCCC3)cc1.
What is the InChIKey of 1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is WYHZOBWINFTTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-18-13-11-16(12-14-18)21(27)15-24-23(28)22-19-9-5-6-10-20(19)26(25-22)17-7-3-2-4-8-17/h11-14,17H,2-10,15H2,1H3,(H,24,28).
What are the key properties of 1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[2-(4-methoxyphenyl)-2-oxoethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 59836213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).