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

C21H19F2N7O — CID 57389884

IUPACN-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(F)ccc1-n1nccn1
InChIInChI=1S/C21H19F2N7O/c1-2-28(11-12-29-10-7-19(27-29)18-5-3-16(23)14-24-18)21(31)17-13-15(22)4-6-20(17)30-25-8-9-26-30/h3-10,13-14H,2,11-12H2,1H3
InChIKeyHDVWCYWVISLIKH-UHFFFAOYSA-N
MW423.43 g/mol
LogP2.97
Rot. Bonds7

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

N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide (PubChem CID 57389884) has the molecular formula C21H19F2N7O and a molecular weight of 423.43 g/mol. Its IUPAC name is N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
PubChem CID57389884
Molecular FormulaC21H19F2N7O
Molecular Weight423.43 g/mol
Exact Mass423.16
IUPAC NameN-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(F)ccc1-n1nccn1
InChIInChI=1S/C21H19F2N7O/c1-2-28(11-12-29-10-7-19(27-29)18-5-3-16(23)14-24-18)21(31)17-13-15(22)4-6-20(17)30-25-8-9-26-30/h3-10,13-14H,2,11-12H2,1H3
InChIKeyHDVWCYWVISLIKH-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide (CID 57389884) is N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide is CCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(F)ccc1-n1nccn1.
What is the InChIKey of N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide?
The InChIKey is HDVWCYWVISLIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7O/c1-2-28(11-12-29-10-7-19(27-29)18-5-3-16(23)14-24-18)21(31)17-13-15(22)4-6-20(17)30-25-8-9-26-30/h3-10,13-14H,2,11-12H2,1H3.
What are the key properties of N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide?
N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide has a molecular weight of 423.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 57389884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).