N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide

C21H20FN7O — CID 71468061

IUPACN-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1cnn(-c2ccc(F)cn2)c1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C21H20FN7O/c1-2-27(21(30)18-5-3-4-6-19(18)29-24-10-11-25-29)12-9-16-13-26-28(15-16)20-8-7-17(22)14-23-20/h3-8,10-11,13-15H,2,9,12H2,1H3
InChIKeyDIVBUKPEQVAWFM-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.69
Rot. Bonds7

About N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide

N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide (PubChem CID 71468061) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide
PubChem CID71468061
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC NameN-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCc1cnn(-c2ccc(F)cn2)c1)C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C21H20FN7O/c1-2-27(21(30)18-5-3-4-6-19(18)29-24-10-11-25-29)12-9-16-13-26-28(15-16)20-8-7-17(22)14-23-20/h3-8,10-11,13-15H,2,9,12H2,1H3
InChIKeyDIVBUKPEQVAWFM-UHFFFAOYSA-N
XLogP2.69
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-N-[2-[5-(2-hydroxypropan-2-yl)pyrimidin-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121413939
N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
CID 72699515
2-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrimidine-4-carboxylic acid
CID 121413937
N-[2-[1-(5,6-difluoro-2-pyridinyl)pyrazol-3-yl]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 71468063
2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethanol
CID 50970819
N-ethyl-2-(triazol-2-yl)-N-[2-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-3-yl]ethyl]benzamide
CID 71468064
N-ethyl-N-[2-[5-methyl-4-(2-methylpropanoyl)-1,3-oxazol-2-yl]ethyl]-2-(triazol-2-yl)benzamide
CID 121315771
[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]methanol
CID 118020276
tert-butyl N-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]-N-methylcarbamate
CID 121427026
N-ethyl-N-[(2S)-1-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
CID 72699512
N-[2-[(3-chloro-4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416915
N-[2-[(4-cyano-2-pyridinyl)-methylamino]ethyl]-N-ethyl-2-(triazol-2-yl)benzamide
CID 121416927

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide (CID 71468061) is N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide is CCN(CCc1cnn(-c2ccc(F)cn2)c1)C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide?
The InChIKey is DIVBUKPEQVAWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-2-27(21(30)18-5-3-4-6-19(18)29-24-10-11-25-29)12-9-16-13-26-28(15-16)20-8-7-17(22)14-23-20/h3-8,10-11,13-15H,2,9,12H2,1H3.
What are the key properties of N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide?
N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide has a molecular weight of 405.44 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]ethyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 71468061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).