1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide

C17H12F3N5O — CID 5028202

IUPAC1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NN=Cc1ccccn1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)15-14(11-23-25(15)13-7-2-1-3-8-13)16(26)24-22-10-12-6-4-5-9-21-12/h1-11H,(H,24,26)
InChIKeyHHIZOVLDNKXLNS-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.05
Rot. Bonds4

About 1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide

1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 5028202) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID5028202
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(NN=Cc1ccccn1)c1cnn(-c2ccccc2)c1C(F)(F)F
InChIInChI=1S/C17H12F3N5O/c18-17(19,20)15-14(11-23-25(15)13-7-2-1-3-8-13)16(26)24-22-10-12-6-4-5-9-21-12/h1-11H,(H,24,26)
InChIKeyHHIZOVLDNKXLNS-UHFFFAOYSA-N
XLogP3.05
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.05
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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Related Compounds

N-[(2,4-dichlorophenyl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175215299
N-(pyridin-2-ylmethylideneamino)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 139983800
N-[(4,6-dichloro-2H-thiochromen-3-yl)methylideneamino]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 3960977
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
1-phenyl-N-quinolin-5-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24573002
2-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide;dihydrate
CID 139147248
N-pyridin-2-yl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 32699923
2-benzamido-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4111465
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24665224
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 5028202) is 1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(NN=Cc1ccccn1)c1cnn(-c2ccccc2)c1C(F)(F)F.
What is the InChIKey of 1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is HHIZOVLDNKXLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-17(19,20)15-14(11-23-25(15)13-7-2-1-3-8-13)16(26)24-22-10-12-6-4-5-9-21-12/h1-11H,(H,24,26).
What are the key properties of 1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 359.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(pyridin-2-ylmethylideneamino)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 5028202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).