N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide

C24H29N5O2 — CID 46086367

IUPACN-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
SMILESCc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)n2)o1
InChIInChI=1S/C24H29N5O2/c1-16(2)22-15-21(24-27-26-17(3)31-24)28-29(22)20-11-9-19(10-12-20)23(30)25-14-13-18-7-5-4-6-8-18/h7,9-12,15-16H,4-6,8,13-14H2,1-3H3,(H,25,30)
InChIKeyZSLTUGUTXHPDAY-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.97
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide

N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide (PubChem CID 46086367) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
PubChem CID46086367
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
SMILESCc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)n2)o1
InChIInChI=1S/C24H29N5O2/c1-16(2)22-15-21(24-27-26-17(3)31-24)28-29(22)20-11-9-19(10-12-20)23(30)25-14-13-18-7-5-4-6-8-18/h7,9-12,15-16H,4-6,8,13-14H2,1-3H3,(H,25,30)
InChIKeyZSLTUGUTXHPDAY-UHFFFAOYSA-N
XLogP4.97
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 46086282
4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 44763554
N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387902
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766470
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
N-[2-(cyclohexen-1-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247071
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
N-[2-(cyclohexen-1-yl)ethyl]-3-(dimethylsulfamoyl)-4-methylbenzamide
CID 110295859
N-[2-(cyclohexen-1-yl)ethyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937865
3-N,5-N-bis[2-(cyclohexen-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 109103293

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide (CID 46086367) is N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide is Cc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)NCCC4=CCCCC4)cc3)n2)o1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?
The InChIKey is ZSLTUGUTXHPDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16(2)22-15-21(24-27-26-17(3)31-24)28-29(22)20-11-9-19(10-12-20)23(30)25-14-13-18-7-5-4-6-8-18/h7,9-12,15-16H,4-6,8,13-14H2,1-3H3,(H,25,30).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide has a molecular weight of 419.53 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide is sourced from PubChem (CID 46086367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).