5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide

C15H10ClN5O3S — CID 5445635

IUPAC5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)s2)[nH]n1
InChIInChI=1S/C15H10ClN5O3S/c16-14-6-5-13(25-14)11-7-12(19-18-11)15(22)20-17-8-9-1-3-10(4-2-9)21(23)24/h1-8H,(H,18,19)(H,20,22)/b17-8-
InChIKeyTYOUIZULTMBBEM-IUXPMGMMSA-N
MW375.80 g/mol
LogP3.46
Rot. Bonds5

About 5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide (PubChem CID 5445635) has the molecular formula C15H10ClN5O3S and a molecular weight of 375.80 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
PubChem CID5445635
Molecular FormulaC15H10ClN5O3S
Molecular Weight375.80 g/mol
Exact Mass375.02
IUPAC Name5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)s2)[nH]n1
InChIInChI=1S/C15H10ClN5O3S/c16-14-6-5-13(25-14)11-7-12(19-18-11)15(22)20-17-8-9-1-3-10(4-2-9)21(23)24/h1-8H,(H,18,19)(H,20,22)/b17-8-
InChIKeyTYOUIZULTMBBEM-IUXPMGMMSA-N
XLogP3.46
TPSA113.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.80
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-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

5-(5-bromothiophen-2-yl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6862711
5-methyl-N-[(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 760769
5-(5-chlorothiophen-2-yl)-N-[(3-methoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 1128619
5-(5-chlorothiophen-2-yl)-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 90486491
5-(5-chlorothiophen-2-yl)-N-[(E)-furan-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide
CID 6866999
N-[(E)-(4-methylphenyl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 6057925
N-[(4-hydroxyphenyl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 687758
N-[(4-fluorophenyl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 686589
5-(5-chlorothiophen-2-yl)-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6869541
N-[(Z)-(4-methoxyphenyl)methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 5392665
N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 5445597
3-(4-chlorophenyl)-N-[(E)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 5342962

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide (CID 5445635) is 5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide is O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)s2)[nH]n1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
The InChIKey is TYOUIZULTMBBEM-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H10ClN5O3S/c16-14-6-5-13(25-14)11-7-12(19-18-11)15(22)20-17-8-9-1-3-10(4-2-9)21(23)24/h1-8H,(H,18,19)(H,20,22)/b17-8-.
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide has a molecular weight of 375.80 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 5445635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).