N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C20H18N6OS — CID 6862122

IUPACN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C20H18N6OS/c1-13-16(14(2)26(25-13)15-7-4-3-5-8-15)12-21-24-20(27)18-11-17(22-23-18)19-9-6-10-28-19/h3-12H,1-2H3,(H,22,23)(H,24,27)/b21-12+
InChIKeyHHCQZRFAYCXZND-CIAFOILYSA-N
MW390.47 g/mol
LogP3.70
Rot. Bonds5

About N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 6862122) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID6862122
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC NameN-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C20H18N6OS/c1-13-16(14(2)26(25-13)15-7-4-3-5-8-15)12-21-24-20(27)18-11-17(22-23-18)19-9-6-10-28-19/h3-12H,1-2H3,(H,22,23)(H,24,27)/b21-12+
InChIKeyHHCQZRFAYCXZND-CIAFOILYSA-N
XLogP3.70
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-5-thiophen-2-yl-1H-pyrazole-3-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

3-(5-Chloro-2-thienyl)-N'-((E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene)-1H-pyrazole-5-carbohydrazide
CID 6869553
3-(5-ME-2-Thienyl)-N'-(1-(4-pyridinyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 5393006
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-methyl-1H-pyrazole-3-carboxamide
CID 5343126
5-methyl-N-(3-{N-[(1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)-2-thiophenecarboxamide
CID 7308643
N'-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 5343000
3-(5-methylthiophen-2-yl)-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]-1H-pyrazole-5-carbohydrazide
CID 6864525
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(thiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6866405
N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carbohydrazide
CID 6867567
N'-[(E)-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-YL)methylidene]-3-(5-methyl-2-thienyl)-1H-pyrazole-5-carbohydrazide
CID 6869533
5-(5-Bromo-thiophen-2-yl)-2H-pyrazole-3-carboxylic acid (3,5-dimethyl-1-phenyl-1H-pyrazol-4-ylmethylene)-hydrazide
CID 9594620
7-oxo-1-phenyl-N-[(E)-(5-thiophen-2-ylthiophen-2-yl)methylideneamino]-6H-pyrazolo[4,5-d]pyridazine-4-carboxamide
CID 134130095
N'-[(1E)-(2-methyl-1H-indol-3-yl)methylene]-3-thien-2-yl-1H-pyrazole-5-carbohydrazide
CID 135498060

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 6862122) is N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is HHCQZRFAYCXZND-CIAFOILYSA-N. The full InChI is InChI=1S/C20H18N6OS/c1-13-16(14(2)26(25-13)15-7-4-3-5-8-15)12-21-24-20(27)18-11-17(22-23-18)19-9-6-10-28-19/h3-12H,1-2H3,(H,22,23)(H,24,27)/b21-12+.
What are the key properties of N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 6862122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).