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

C20H18FN7O — CID 57390051

IUPACN-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)NCCn2cc(-c3ccc(F)cn3)cn2)c1
InChIInChI=1S/C20H18FN7O/c1-14-2-5-19(28-24-6-7-25-28)17(10-14)20(29)22-8-9-27-13-15(11-26-27)18-4-3-16(21)12-23-18/h2-7,10-13H,8-9H2,1H3,(H,22,29)
InChIKeyIIOKTGYGYMXVDL-UHFFFAOYSA-N
MW391.41 g/mol
LogP2.40
Rot. Bonds6

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

N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide (PubChem CID 57390051) has the molecular formula C20H18FN7O and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
PubChem CID57390051
Molecular FormulaC20H18FN7O
Molecular Weight391.41 g/mol
Exact Mass391.16
IUPAC NameN-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide
SMILESCc1ccc(-n2nccn2)c(C(=O)NCCn2cc(-c3ccc(F)cn3)cn2)c1
InChIInChI=1S/C20H18FN7O/c1-14-2-5-19(28-24-6-7-25-28)17(10-14)20(29)22-8-9-27-13-15(11-26-27)18-4-3-16(21)12-23-18/h2-7,10-13H,8-9H2,1H3,(H,22,29)
InChIKeyIIOKTGYGYMXVDL-UHFFFAOYSA-N
XLogP2.40
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The IUPAC name of N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide (CID 57390051) is N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide.
What is the SMILES notation for N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The canonical SMILES for N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide is Cc1ccc(-n2nccn2)c(C(=O)NCCn2cc(-c3ccc(F)cn3)cn2)c1.
What is the InChIKey of N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
The InChIKey is IIOKTGYGYMXVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN7O/c1-14-2-5-19(28-24-6-7-25-28)17(10-14)20(29)22-8-9-27-13-15(11-26-27)18-4-3-16(21)12-23-18/h2-7,10-13H,8-9H2,1H3,(H,22,29).
What are the key properties of N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide?
N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide has a molecular weight of 391.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-(triazol-2-yl)benzamide is sourced from PubChem (CID 57390051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).