N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C15H11FN4OS — CID 44722152

IUPACN-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1cccc(F)c1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H11FN4OS/c16-11-4-1-3-10(7-11)9-17-20-15(21)13-8-12(18-19-13)14-5-2-6-22-14/h1-9H,(H,18,19)(H,20,21)/b17-9+
InChIKeyDLHBIJBRXQYICN-RQZCQDPDSA-N
MW314.35 g/mol
LogP3.04
Rot. Bonds4

About N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 44722152) has the molecular formula C15H11FN4OS and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID44722152
Molecular FormulaC15H11FN4OS
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC NameN-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1cccc(F)c1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C15H11FN4OS/c16-11-4-1-3-10(7-11)9-17-20-15(21)13-8-12(18-19-13)14-5-2-6-22-14/h1-9H,(H,18,19)(H,20,21)/b17-9+
InChIKeyDLHBIJBRXQYICN-RQZCQDPDSA-N
XLogP3.04
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.04
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

CID 5342869
CID 5342869
CID 5720643
CID 5720643
CID 9556891
CID 9556891
CID 78673871
CID 78673871
CID 5345393
CID 5345393
CID 5402503
CID 5402503
CID 5720647
CID 5720647
CID 6866198
CID 6866198
CID 135521407
CID 135521407
CID 5392060
CID 5392060
CID 5400057
CID 5400057
CID 5421124
CID 5421124

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 44722152) is N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(N/N=C/c1cccc(F)c1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is DLHBIJBRXQYICN-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H11FN4OS/c16-11-4-1-3-10(7-11)9-17-20-15(21)13-8-12(18-19-13)14-5-2-6-22-14/h1-9H,(H,18,19)(H,20,21)/b17-9+.
What are the key properties of N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 44722152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).