2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide

C10H7F3N4OS — CID 119055660

IUPAC2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(F)s1)c1ccnn1C(F)F
InChIInChI=1S/C10H7F3N4OS/c11-8-2-1-6(19-8)5-14-16-9(18)7-3-4-15-17(7)10(12)13/h1-5,10H,(H,16,18)/b14-5+
InChIKeyMQOLFIXVRZUABB-LHHJGKSTSA-N
MW288.25 g/mol
LogP2.24
Rot. Bonds4

About 2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide

2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide (PubChem CID 119055660) has the molecular formula C10H7F3N4OS and a molecular weight of 288.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide
PubChem CID119055660
Molecular FormulaC10H7F3N4OS
Molecular Weight288.25 g/mol
Exact Mass288.03
IUPAC Name2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide
SMILESO=C(N/N=C/c1ccc(F)s1)c1ccnn1C(F)F
InChIInChI=1S/C10H7F3N4OS/c11-8-2-1-6(19-8)5-14-16-9(18)7-3-4-15-17(7)10(12)13/h1-5,10H,(H,16,18)/b14-5+
InChIKeyMQOLFIXVRZUABB-LHHJGKSTSA-N
XLogP2.24
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 52.24
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 2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide (CID 119055660) is 2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide is O=C(N/N=C/c1ccc(F)s1)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide?
The InChIKey is MQOLFIXVRZUABB-LHHJGKSTSA-N. The full InChI is InChI=1S/C10H7F3N4OS/c11-8-2-1-6(19-8)5-14-16-9(18)7-3-4-15-17(7)10(12)13/h1-5,10H,(H,16,18)/b14-5+.
What are the key properties of 2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide?
2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide has a molecular weight of 288.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]pyrazole-3-carboxamide is sourced from PubChem (CID 119055660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).