N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide

C22H29N3O2 — CID 92602078

IUPACN-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide
SMILESCOc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)C1CCCCC1
InChIInChI=1S/C22H29N3O2/c1-27-21-13-6-5-10-17(21)15-25-20-12-7-11-19(18(20)14-23-25)24-22(26)16-8-3-2-4-9-16/h5-6,10,13-14,16,19H,2-4,7-9,11-12,15H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyLSOJKVAMOGVHHC-IBGZPJMESA-N
MW367.49 g/mol
LogP4.01
Rot. Bonds5

About N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide

N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide (PubChem CID 92602078) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide
PubChem CID92602078
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide
SMILESCOc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)C1CCCCC1
InChIInChI=1S/C22H29N3O2/c1-27-21-13-6-5-10-17(21)15-25-20-12-7-11-19(18(20)14-23-25)24-22(26)16-8-3-2-4-9-16/h5-6,10,13-14,16,19H,2-4,7-9,11-12,15H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyLSOJKVAMOGVHHC-IBGZPJMESA-N
XLogP4.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide with MolForge

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Related Compounds

cis-(1S,3R)-3-methoxy-N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexane-1-carboxamide
CID 124819312
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
(4S)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060058
(4R)-N-[(2-methoxyphenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060056
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
N-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 166631798
N-[(4S)-1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]cyclopentanecarboxamide
CID 25384334
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-butoxy-3-methoxybenzamide
CID 46424764
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-methoxy-2-(oxan-4-yl)acetamide
CID 167830345
3-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 166180370
N-ethyl-1-[(2-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 65356697

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide (CID 92602078) is N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide is COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)C1CCCCC1.
What is the InChIKey of N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide?
The InChIKey is LSOJKVAMOGVHHC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O2/c1-27-21-13-6-5-10-17(21)15-25-20-12-7-11-19(18(20)14-23-25)24-22(26)16-8-3-2-4-9-16/h5-6,10,13-14,16,19H,2-4,7-9,11-12,15H2,1H3,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide?
N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1-[(2-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 92602078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).