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

C15H11ClN4OS — CID 6103347

IUPACN-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESO=C(N/N=C\c1cccc(Cl)c1)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H11ClN4OS/c16-11-4-1-3-10(7-11)8-17-20-15(21)12-9-18-19-14(12)13-5-2-6-22-13/h1-9H,(H,18,19)(H,20,21)/b17-8-
InChIKeyLCISRZDDTKPAQL-IUXPMGMMSA-N
MW330.80 g/mol
LogP3.56
Rot. Bonds4

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

N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 6103347) has the molecular formula C15H11ClN4OS and a molecular weight of 330.80 g/mol. Its IUPAC name is N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
PubChem CID6103347
Molecular FormulaC15H11ClN4OS
Molecular Weight330.80 g/mol
Exact Mass330.03
IUPAC NameN-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESO=C(N/N=C\c1cccc(Cl)c1)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H11ClN4OS/c16-11-4-1-3-10(7-11)8-17-20-15(21)12-9-18-19-14(12)13-5-2-6-22-13/h1-9H,(H,18,19)(H,20,21)/b17-8-
InChIKeyLCISRZDDTKPAQL-IUXPMGMMSA-N
XLogP3.56
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 53.56
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'}

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Related Compounds

N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 6261074
2-chloro-N-[(3-chlorophenyl)methylideneamino]benzamide
CID 689911
2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
2-bromo-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 6899012
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
CID 6111421
3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 142738671
5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824121
2-chloro-N-[(3-chlorophenyl)methylideneamino]-4-methylbenzamide
CID 71952071
N-[(E)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135588704
N-[(3-hydroxyphenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 2048137
N-[(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 870863
N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5340130

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (CID 6103347) is N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is O=C(N/N=C\c1cccc(Cl)c1)c1cn[nH]c1-c1cccs1.
What is the InChIKey of N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is LCISRZDDTKPAQL-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H11ClN4OS/c16-11-4-1-3-10(7-11)8-17-20-15(21)12-9-18-19-14(12)13-5-2-6-22-13/h1-9H,(H,18,19)(H,20,21)/b17-8-.
What are the key properties of N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide has a molecular weight of 330.80 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 6103347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).