(Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide

C23H25N5O2 — CID 143464434

IUPAC(Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide
SMILESNc1cccc(NC(=O)CC/C=C\CCC(=O)Nc2cccc(-c3ccn[nH]3)c2)c1
InChIInChI=1S/C23H25N5O2/c24-18-8-6-10-20(16-18)27-23(30)12-4-2-1-3-11-22(29)26-19-9-5-7-17(15-19)21-13-14-25-28-21/h1-2,5-10,13-16H,3-4,11-12,24H2,(H,25,28)(H,26,29)(H,27,30)/b2-1-
InChIKeyGJQYONZDLHSKKG-UPHRSURJSA-N
MW403.49 g/mol
LogP4.35
Rot. Bonds9

About (Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide

(Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide (PubChem CID 143464434) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide.

Molecular Properties

Compound Name(Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide
PubChem CID143464434
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name(Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide
SMILESNc1cccc(NC(=O)CC/C=C\CCC(=O)Nc2cccc(-c3ccn[nH]3)c2)c1
InChIInChI=1S/C23H25N5O2/c24-18-8-6-10-20(16-18)27-23(30)12-4-2-1-3-11-22(29)26-19-9-5-7-17(15-19)21-13-14-25-28-21/h1-2,5-10,13-16H,3-4,11-12,24H2,(H,25,28)(H,26,29)(H,27,30)/b2-1-
InChIKeyGJQYONZDLHSKKG-UPHRSURJSA-N
XLogP4.35
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 37044565
2-(prop-2-enylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 79285096
2-(tert-butylamino)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 47842566
1-phenyl-3-[3-(1H-pyrazol-5-yl)phenyl]urea
CID 60969581
2-[(2-methylpropan-2-yl)oxy]-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 115949454
3-(1H-indol-3-yl)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 43073730
2-(4-fluorophenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38808772
1-(aminomethyl)-N-[3-(1H-pyrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 115452566
2-(4-ethoxyphenoxy)-N-[3-(1H-pyrazol-5-yl)phenyl]acetamide
CID 38808558
3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 46412486
2-amino-4-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 43711252
4-(2-amino-2-oxoethyl)sulfanyl-N-(3-aminophenyl)butanamide
CID 114231287

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide?
The IUPAC name of (Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide (CID 143464434) is (Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide.
What is the SMILES notation for (Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide?
The canonical SMILES for (Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide is Nc1cccc(NC(=O)CC/C=C\CCC(=O)Nc2cccc(-c3ccn[nH]3)c2)c1.
What is the InChIKey of (Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide?
The InChIKey is GJQYONZDLHSKKG-UPHRSURJSA-N. The full InChI is InChI=1S/C23H25N5O2/c24-18-8-6-10-20(16-18)27-23(30)12-4-2-1-3-11-22(29)26-19-9-5-7-17(15-19)21-13-14-25-28-21/h1-2,5-10,13-16H,3-4,11-12,24H2,(H,25,28)(H,26,29)(H,27,30)/b2-1-.
What are the key properties of (Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide?
(Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide has a molecular weight of 403.49 g/mol, XLogP of 4.35, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(3-aminophenyl)-N-[3-(1H-pyrazol-5-yl)phenyl]oct-4-enediamide is sourced from PubChem (CID 143464434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).