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

C21H20FN7O — CID 118020648

IUPACN-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)NC(C)Cc2ccn(-c3ccc(F)cn3)n2)c1
InChIInChI=1S/C21H20FN7O/c1-14-3-5-19(29-24-8-9-25-29)18(11-14)21(30)26-15(2)12-17-7-10-28(27-17)20-6-4-16(22)13-23-20/h3-11,13,15H,12H2,1-2H3,(H,26,30)
InChIKeyUBNWXEDGURCFNW-UHFFFAOYSA-N
MW405.44 g/mol
LogP2.66
Rot. Bonds6

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

N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 118020648) has the molecular formula C21H20FN7O and a molecular weight of 405.44 g/mol. Its IUPAC name is N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID118020648
Molecular FormulaC21H20FN7O
Molecular Weight405.44 g/mol
Exact Mass405.17
IUPAC NameN-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)NC(C)Cc2ccn(-c3ccc(F)cn3)n2)c1
InChIInChI=1S/C21H20FN7O/c1-14-3-5-19(29-24-8-9-25-29)18(11-14)21(30)26-15(2)12-17-7-10-28(27-17)20-6-4-16(22)13-23-20/h3-11,13,15H,12H2,1-2H3,(H,26,30)
InChIKeyUBNWXEDGURCFNW-UHFFFAOYSA-N
XLogP2.66
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide (CID 118020648) is N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is Cc1ccc(-n2nccn2)c(C(=O)NC(C)Cc2ccn(-c3ccc(F)cn3)n2)c1.
What is the InChIKey of N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is UBNWXEDGURCFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN7O/c1-14-3-5-19(29-24-8-9-25-29)18(11-14)21(30)26-15(2)12-17-7-10-28(27-17)20-6-4-16(22)13-23-20/h3-11,13,15H,12H2,1-2H3,(H,26,30).
What are the key properties of N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide?
N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 405.44 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-yl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 118020648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).