N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide

C23H23FN6O — CID 57389971

IUPACN-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cc2)n1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C23H23FN6O/c1-3-28(14-15-29-13-10-21(27-29)18-5-7-19(24)8-6-18)23(31)20-16-17(2)4-9-22(20)30-25-11-12-26-30/h4-13,16H,3,14-15H2,1-2H3
InChIKeyDQSHYFFCNKDPDI-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.74
Rot. Bonds7

About N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide

N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 57389971) has the molecular formula C23H23FN6O and a molecular weight of 418.48 g/mol. Its IUPAC name is N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID57389971
Molecular FormulaC23H23FN6O
Molecular Weight418.48 g/mol
Exact Mass418.19
IUPAC NameN-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(CCn1ccc(-c2ccc(F)cc2)n1)C(=O)c1cc(C)ccc1-n1nccn1
InChIInChI=1S/C23H23FN6O/c1-3-28(14-15-29-13-10-21(27-29)18-5-7-19(24)8-6-18)23(31)20-16-17(2)4-9-22(20)30-25-11-12-26-30/h4-13,16H,3,14-15H2,1-2H3
InChIKeyDQSHYFFCNKDPDI-UHFFFAOYSA-N
XLogP3.74
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide (CID 57389971) is N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide is CCN(CCn1ccc(-c2ccc(F)cc2)n1)C(=O)c1cc(C)ccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is DQSHYFFCNKDPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O/c1-3-28(14-15-29-13-10-21(27-29)18-5-7-19(24)8-6-18)23(31)20-16-17(2)4-9-22(20)30-25-11-12-26-30/h4-13,16H,3,14-15H2,1-2H3.
What are the key properties of N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 418.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[3-(4-fluorophenyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 57389971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).