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

C22H22FN7O — CID 57389725

IUPACN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C22H22FN7O/c1-3-28(12-13-29-11-8-20(27-29)19-6-5-17(23)15-24-19)22(31)18-14-16(2)4-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3
InChIKeyFMDLORLPXIAIMQ-UHFFFAOYSA-N
MW419.46 g/mol
LogP3.14
Rot. Bonds7

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

N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 57389725) has the molecular formula C22H22FN7O and a molecular weight of 419.46 g/mol. Its IUPAC name is N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID57389725
Molecular FormulaC22H22FN7O
Molecular Weight419.46 g/mol
Exact Mass419.19
IUPAC NameN-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C22H22FN7O/c1-3-28(12-13-29-11-8-20(27-29)19-6-5-17(23)15-24-19)22(31)18-14-16(2)4-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3
InChIKeyFMDLORLPXIAIMQ-UHFFFAOYSA-N
XLogP3.14
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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N-ethyl-N-[(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide (CID 57389725) is N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide is CCN(CCn1ccc(-c2ccc(F)cn2)n1)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is FMDLORLPXIAIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN7O/c1-3-28(12-13-29-11-8-20(27-29)19-6-5-17(23)15-24-19)22(31)18-14-16(2)4-7-21(18)30-25-9-10-26-30/h4-11,14-15H,3,12-13H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 419.46 g/mol, XLogP of 3.14, 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-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 57389725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).