2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide

C14H12F4N4OS — CID 124849150

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)N/N=C\c1ccc(F)s1
InChIInChI=1S/C14H12F4N4OS/c15-12-4-3-9(24-12)6-19-20-13(23)7-22-10(8-1-2-8)5-11(21-22)14(16,17)18/h3-6,8H,1-2,7H2,(H,20,23)/b19-6-
InChIKeyOBYGVCMEIWHVLM-SWNXQHNESA-N
MW360.34 g/mol
LogP3.13
Rot. Bonds5

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide (PubChem CID 124849150) has the molecular formula C14H12F4N4OS and a molecular weight of 360.34 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide
PubChem CID124849150
Molecular FormulaC14H12F4N4OS
Molecular Weight360.34 g/mol
Exact Mass360.07
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)cc1C1CC1)N/N=C\c1ccc(F)s1
InChIInChI=1S/C14H12F4N4OS/c15-12-4-3-9(24-12)6-19-20-13(23)7-22-10(8-1-2-8)5-11(21-22)14(16,17)18/h3-6,8H,1-2,7H2,(H,20,23)/b19-6-
InChIKeyOBYGVCMEIWHVLM-SWNXQHNESA-N
XLogP3.13
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 53.13
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-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide (CID 124849150) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide is O=C(Cn1nc(C(F)(F)F)cc1C1CC1)N/N=C\c1ccc(F)s1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide?
The InChIKey is OBYGVCMEIWHVLM-SWNXQHNESA-N. The full InChI is InChI=1S/C14H12F4N4OS/c15-12-4-3-9(24-12)6-19-20-13(23)7-22-10(8-1-2-8)5-11(21-22)14(16,17)18/h3-6,8H,1-2,7H2,(H,20,23)/b19-6-.
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide has a molecular weight of 360.34 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-(5-fluorothiophen-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 124849150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).