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

C23H24FN7O — CID 72699515

IUPACN-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(C)ccc1-n1nccn1)C(C)Cc1cnn(-c2ccc(F)cn2)c1
InChIInChI=1S/C23H24FN7O/c1-4-29(23(32)20-11-16(2)5-7-21(20)31-26-9-10-27-31)17(3)12-18-13-28-30(15-18)22-8-6-19(24)14-25-22/h5-11,13-15,17H,4,12H2,1-3H3
InChIKeyKRNSGJQQWGGUIM-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.39
Rot. Bonds7

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

N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 72699515) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID72699515
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC NameN-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCCN(C(=O)c1cc(C)ccc1-n1nccn1)C(C)Cc1cnn(-c2ccc(F)cn2)c1
InChIInChI=1S/C23H24FN7O/c1-4-29(23(32)20-11-16(2)5-7-21(20)31-26-9-10-27-31)17(3)12-18-13-28-30(15-18)22-8-6-19(24)14-25-22/h5-11,13-15,17H,4,12H2,1-3H3
InChIKeyKRNSGJQQWGGUIM-UHFFFAOYSA-N
XLogP3.39
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (CID 72699515) is N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is CCN(C(=O)c1cc(C)ccc1-n1nccn1)C(C)Cc1cnn(-c2ccc(F)cn2)c1.
What is the InChIKey of N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is KRNSGJQQWGGUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-4-29(23(32)20-11-16(2)5-7-21(20)31-26-9-10-27-31)17(3)12-18-13-28-30(15-18)22-8-6-19(24)14-25-22/h5-11,13-15,17H,4,12H2,1-3H3.
What are the key properties of N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 433.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-4-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 72699515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).