2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide

C14H11ClF4N4O — CID 5430332

IUPAC2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClF4N4O/c15-9-3-1-8(2-4-9)6-20-21-12(24)7-23-11(14(18)19)5-10(22-23)13(16)17/h1-6,13-14H,7H2,(H,21,24)/b20-6-
InChIKeyYQACJPPOAJLVAD-IOXNKQMXSA-N
MW362.71 g/mol
LogP3.56
Rot. Bonds6

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide (PubChem CID 5430332) has the molecular formula C14H11ClF4N4O and a molecular weight of 362.71 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
PubChem CID5430332
Molecular FormulaC14H11ClF4N4O
Molecular Weight362.71 g/mol
Exact Mass362.06
IUPAC Name2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
SMILESO=C(Cn1nc(C(F)F)cc1C(F)F)N/N=C\c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClF4N4O/c15-9-3-1-8(2-4-9)6-20-21-12(24)7-23-11(14(18)19)5-10(22-23)13(16)17/h1-6,13-14H,7H2,(H,21,24)/b20-6-
InChIKeyYQACJPPOAJLVAD-IOXNKQMXSA-N
XLogP3.56
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
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

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(E)-(5-fluoro-1,3-dimethylpyrazol-4-yl)methylideneamino]acetamide
CID 119055937
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-(5-chloro-2-hydroxyphenyl)acetamide
CID 19518008
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19518175
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19517990
N-[(4-chlorophenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 5204604
2-(benzotriazol-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 689343
N-[(E)-(4-chlorophenyl)methylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 19660269
N-[(Z)-benzylideneamino]-2-(6-chloro-3-methylindazol-1-yl)acetamide
CID 11631246
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
N,N'-bis[(4-chlorophenyl)methylideneamino]nonanediamide
CID 3703961
2-(3,5-dimethylpyrazol-1-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 6889379
2-(3,5-dimethylpyrazol-1-yl)-N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 5400153

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide (CID 5430332) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is O=C(Cn1nc(C(F)F)cc1C(F)F)N/N=C\c1ccc(Cl)cc1.
What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide?
The InChIKey is YQACJPPOAJLVAD-IOXNKQMXSA-N. The full InChI is InChI=1S/C14H11ClF4N4O/c15-9-3-1-8(2-4-9)6-20-21-12(24)7-23-11(14(18)19)5-10(22-23)13(16)17/h1-6,13-14H,7H2,(H,21,24)/b20-6-.
What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide?
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide has a molecular weight of 362.71 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 5430332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).