N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

C23H22N6O — CID 5343154

IUPACN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)[nH]n2)cc1
InChIInChI=1S/C23H22N6O/c1-15-9-11-18(12-10-15)21-13-22(26-25-21)23(30)27-24-14-20-16(2)28-29(17(20)3)19-7-5-4-6-8-19/h4-14H,1-3H3,(H,25,26)(H,27,30)/b24-14+
InChIKeyAPDFJFYLDIALBR-ZVHZXABRSA-N
MW398.47 g/mol
LogP3.95
Rot. Bonds5

About N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide

N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 5343154) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID5343154
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC NameN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)[nH]n2)cc1
InChIInChI=1S/C23H22N6O/c1-15-9-11-18(12-10-15)21-13-22(26-25-21)23(30)27-24-14-20-16(2)28-29(17(20)3)19-7-5-4-6-8-19/h4-14H,1-3H3,(H,25,26)(H,27,30)/b24-14+
InChIKeyAPDFJFYLDIALBR-ZVHZXABRSA-N
XLogP3.95
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-((3-(prop-2-enoylamino)benzoyl)amino)phenyl)-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 131704492
N'-((E,2E)-2-Methyl-3-phenyl-2-propenylidene)-3-(1-methyl-1H-pyrrol-2-YL)-1H-pyrazole-5-carbohydrazide
CID 6869472
US10022354, Example 5
CID 121279569
US10022354, Example 61
CID 121279700
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 6884937
3-(1-ME-1H-Pyrrol-2-YL)-N'-(3-PH-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 6900541
N-[1-[(1R)-2-(dimethylamino)-1-phenylethyl]pyrazol-4-yl]-6,6-dimethyl-1,4,5,7-tetrahydroindazole-3-carboxamide
CID 90645541
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5343126
N'-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-4-fluorobenzohydrazide
CID 6874619
3-tert-butyl-N'-[(E)-(1,2-dimethyl-1H-indol-3-yl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 6883112
N'-(4-Fluorobenzylidene)-5-(1-methyl-1H-pyrrol-2-yl)-1H-pyrazole-3-carbohydrazide
CID 9594599
3-methyl-N'-[(E)-(2-methyl-1H-indol-3-yl)methylidene]-1H-pyrazole-5-carbohydrazide
CID 135457649

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 5343154) is N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)[nH]n2)cc1.
What is the InChIKey of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is APDFJFYLDIALBR-ZVHZXABRSA-N. The full InChI is InChI=1S/C23H22N6O/c1-15-9-11-18(12-10-15)21-13-22(26-25-21)23(30)27-24-14-20-16(2)28-29(17(20)3)19-7-5-4-6-8-19/h4-14H,1-3H3,(H,25,26)(H,27,30)/b24-14+.
What are the key properties of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide?
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 5343154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).