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

C15H11FN4OS — CID 6261074

IUPACN-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESO=C(N/N=C\c1ccccc1F)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H11FN4OS/c16-12-5-2-1-4-10(12)8-17-20-15(21)11-9-18-19-14(11)13-6-3-7-22-13/h1-9H,(H,18,19)(H,20,21)/b17-8-
InChIKeyTUTZFVOSLRDCBF-IUXPMGMMSA-N
MW314.35 g/mol
LogP3.04
Rot. Bonds4

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

N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (PubChem CID 6261074) has the molecular formula C15H11FN4OS and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
PubChem CID6261074
Molecular FormulaC15H11FN4OS
Molecular Weight314.35 g/mol
Exact Mass314.06
IUPAC NameN-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
SMILESO=C(N/N=C\c1ccccc1F)c1cn[nH]c1-c1cccs1
InChIInChI=1S/C15H11FN4OS/c16-12-5-2-1-4-10(12)8-17-20-15(21)11-9-18-19-14(11)13-6-3-7-22-13/h1-9H,(H,18,19)(H,20,21)/b17-8-
InChIKeyTUTZFVOSLRDCBF-IUXPMGMMSA-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

N-[(Z)-(3-chlorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 6103347
2-fluoro-N-[(2-fluorophenyl)methylideneamino]benzamide
CID 2593233
N-[(2-fluorophenyl)methylideneamino]-2-hydroxybenzamide
CID 674709
N-butyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824151
4-fluoro-N-[(E)-(2-fluorophenyl)methylideneamino]benzamide
CID 5333160
5-thiophen-2-yl-N-(thiophen-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 71824121
N-[(E)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 135588704
N-(2-methylpropyl)-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824157
N-cyclopentyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824156
N-[(Z)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2-hydroxybenzamide
CID 136728460
2-fluoro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 5108019
3-[(5-thiophen-2-yl-1H-pyrazole-4-carbonyl)amino]benzoic acid
CID 142738671

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide (CID 6261074) is N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is O=C(N/N=C\c1ccccc1F)c1cn[nH]c1-c1cccs1.
What is the InChIKey of N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
The InChIKey is TUTZFVOSLRDCBF-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H11FN4OS/c16-12-5-2-1-4-10(12)8-17-20-15(21)11-9-18-19-14(11)13-6-3-7-22-13/h1-9H,(H,18,19)(H,20,21)/b17-8-.
What are the key properties of N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide?
N-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-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-[(Z)-(2-fluorophenyl)methylideneamino]-5-thiophen-2-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 6261074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).