N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide

C11H11FN4OS — CID 119055644

IUPACN-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc(F)s2)nn1C
InChIInChI=1S/C11H11FN4OS/c1-7-5-9(15-16(7)2)11(17)14-13-6-8-3-4-10(12)18-8/h3-6H,1-2H3,(H,14,17)/b13-6+
InChIKeyYAOSFPOYJSQVPT-AWNIVKPZSA-N
MW266.30 g/mol
LogP1.69
Rot. Bonds3

About N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide

N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 119055644) has the molecular formula C11H11FN4OS and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID119055644
Molecular FormulaC11H11FN4OS
Molecular Weight266.30 g/mol
Exact Mass266.06
IUPAC NameN-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N/N=C/c2ccc(F)s2)nn1C
InChIInChI=1S/C11H11FN4OS/c1-7-5-9(15-16(7)2)11(17)14-13-6-8-3-4-10(12)18-8/h3-6H,1-2H3,(H,14,17)/b13-6+
InChIKeyYAOSFPOYJSQVPT-AWNIVKPZSA-N
XLogP1.69
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide (CID 119055644) is N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N/N=C/c2ccc(F)s2)nn1C.
What is the InChIKey of N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is YAOSFPOYJSQVPT-AWNIVKPZSA-N. The full InChI is InChI=1S/C11H11FN4OS/c1-7-5-9(15-16(7)2)11(17)14-13-6-8-3-4-10(12)18-8/h3-6H,1-2H3,(H,14,17)/b13-6+.
What are the key properties of N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide?
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 119055644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).