4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide

C24H24Cl2N4O — CID 44763554

IUPAC4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESNc1cc(-c2ccc(Cl)c(Cl)c2)nn1-c1ccc(C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C24H24Cl2N4O/c25-20-11-8-18(14-21(20)26)22-15-23(27)30(29-22)19-9-6-17(7-10-19)24(31)28-13-12-16-4-2-1-3-5-16/h4,6-11,14-15H,1-3,5,12-13,27H2,(H,28,31)
InChIKeyLVDIYJAKTLQPTF-UHFFFAOYSA-N
MW455.39 g/mol
LogP6.05
Rot. Bonds6

About 4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide

4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide (PubChem CID 44763554) has the molecular formula C24H24Cl2N4O and a molecular weight of 455.39 g/mol. Its IUPAC name is 4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
PubChem CID44763554
Molecular FormulaC24H24Cl2N4O
Molecular Weight455.39 g/mol
Exact Mass454.13
IUPAC Name4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide
SMILESNc1cc(-c2ccc(Cl)c(Cl)c2)nn1-c1ccc(C(=O)NCCC2=CCCCC2)cc1
InChIInChI=1S/C24H24Cl2N4O/c25-20-11-8-18(14-21(20)26)22-15-23(27)30(29-22)19-9-6-17(7-10-19)24(31)28-13-12-16-4-2-1-3-5-16/h4,6-11,14-15H,1-3,5,12-13,27H2,(H,28,31)
InChIKeyLVDIYJAKTLQPTF-UHFFFAOYSA-N
XLogP6.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331630
4-(aminomethyl)-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 43515270
4-carbamothioyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 47213059
4-N-[(4-chlorophenyl)methyl]-1-N-[2-(cyclohexen-1-yl)ethyl]benzene-1,4-dicarboxamide
CID 109045014
4-acetamido-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 27666318
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
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2390717
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
N-[2-(cyclohexen-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 18108486
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
N-[2-(cyclohexen-1-yl)ethyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848279

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The IUPAC name of 4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide (CID 44763554) is 4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The canonical SMILES for 4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide is Nc1cc(-c2ccc(Cl)c(Cl)c2)nn1-c1ccc(C(=O)NCCC2=CCCCC2)cc1.
What is the InChIKey of 4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
The InChIKey is LVDIYJAKTLQPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N4O/c25-20-11-8-18(14-21(20)26)22-15-23(27)30(29-22)19-9-6-17(7-10-19)24(31)28-13-12-16-4-2-1-3-5-16/h4,6-11,14-15H,1-3,5,12-13,27H2,(H,28,31).
What are the key properties of 4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide?
4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide has a molecular weight of 455.39 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(3,4-dichlorophenyl)pyrazol-1-yl]-N-[2-(cyclohexen-1-yl)ethyl]benzamide is sourced from PubChem (CID 44763554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).