N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide

C21H19F2N7O — CID 71468063

IUPACN-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1ccn(-c2ccc(F)c(F)n2)n1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C21H19F2N7O/c1-2-28(21(31)16-5-3-4-6-18(16)30-24-11-12-25-30)13-9-15-10-14-29(27-15)19-8-7-17(22)20(23)26-19/h3-8,10-12,14H,2,9,13H2,1H3
InChIKeyMIVSGBMPHFXNFJ-UHFFFAOYSA-N
MW423.43 g/mol
LogP2.83
Rot. Bonds7

About N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide

N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide (PubChem CID 71468063) has the molecular formula C21H19F2N7O and a molecular weight of 423.43 g/mol. Its IUPAC name is N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
PubChem CID71468063
Molecular FormulaC21H19F2N7O
Molecular Weight423.43 g/mol
Exact Mass423.16
IUPAC NameN-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1ccn(-c2ccc(F)c(F)n2)n1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C21H19F2N7O/c1-2-28(21(31)16-5-3-4-6-18(16)30-24-11-12-25-30)13-9-15-10-14-29(27-15)19-8-7-17(22)20(23)26-19/h3-8,10-12,14H,2,9,13H2,1H3
InChIKeyMIVSGBMPHFXNFJ-UHFFFAOYSA-N
XLogP2.83
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide
CID 71468064
N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 71468061
2-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrimidine-4-carboxylic acid
CID 121413937
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121413939
N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121315771
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416927
tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate
CID 121427026
N-[2-(N-(4,6-dimethylpyrimidin-2-yl)-2-ethylanilino)ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416969
N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416915
(2-fluorophenyl)-[2-(triazol-2-yl)phenyl]methanone
CID 102227880
N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]ethyl]-2-(tetrazol-2-yl)benzamide
CID 121413980
1-[2-(triazol-2-yl)phenyl]propan-1-one
CID 70794389

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide (CID 71468063) is N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide is CCN(CCc1ccn(-c2ccc(F)c(F)n2)n1)C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
The InChIKey is MIVSGBMPHFXNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O/c1-2-28(21(31)16-5-3-4-6-18(16)30-24-11-12-25-30)13-9-15-10-14-29(27-15)19-8-7-17(22)20(23)26-19/h3-8,10-12,14H,2,9,13H2,1H3.
What are the key properties of N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide?
N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide has a molecular weight of 423.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 71468063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).