3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

C15H10Cl2N4OS — CID 6888134

IUPAC3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C15H10Cl2N4OS/c16-11-4-3-9(6-12(11)17)13-7-14(20-19-13)15(22)21-18-8-10-2-1-5-23-10/h1-8H,(H,19,20)(H,21,22)/b18-8+
InChIKeyGSTPJVOLORGHIX-QGMBQPNBSA-N
MW365.25 g/mol
LogP4.21
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide

3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide (PubChem CID 6888134) has the molecular formula C15H10Cl2N4OS and a molecular weight of 365.25 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
PubChem CID6888134
Molecular FormulaC15H10Cl2N4OS
Molecular Weight365.25 g/mol
Exact Mass364.00
IUPAC Name3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
SMILESO=C(N/N=C/c1cccs1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C15H10Cl2N4OS/c16-11-4-3-9(6-12(11)17)13-7-14(20-19-13)15(22)21-18-8-10-2-1-5-23-10/h1-8H,(H,19,20)(H,21,22)/b18-8+
InChIKeyGSTPJVOLORGHIX-QGMBQPNBSA-N
XLogP4.21
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-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

3-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5412743
3-(1-methylpyrrol-2-yl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5345439
3-(4-octoxyphenyl)-N-(thiophen-2-ylmethylideneamino)-1H-pyrazole-5-carboxamide
CID 3542747
3-(3,4-dichlorophenyl)-N-[(E)-1H-indol-3-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 135641952
3-(4-chlorophenyl)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6091820
3-(3,4-dichlorophenyl)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 136915483
3-chloro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 691642
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 6891233
N-[(3,4-dichlorophenyl)methylideneamino]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 2039676
N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513521
N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 6891319
3-(4-chlorophenyl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 6891280

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide (CID 6888134) is 3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is O=C(N/N=C/c1cccs1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
The InChIKey is GSTPJVOLORGHIX-QGMBQPNBSA-N. The full InChI is InChI=1S/C15H10Cl2N4OS/c16-11-4-3-9(6-12(11)17)13-7-14(20-19-13)15(22)21-18-8-10-2-1-5-23-10/h1-8H,(H,19,20)(H,21,22)/b18-8+.
What are the key properties of 3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide?
3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide has a molecular weight of 365.25 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 6888134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).