2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide

C23H19FN4O — CID 95805486

IUPAC2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
SMILESCc1cnccc1-c1cn[nH]c1-c1ccc(CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C23H19FN4O/c1-15-12-25-11-10-18(15)20-14-27-28-22(20)17-8-6-16(7-9-17)13-26-23(29)19-4-2-3-5-21(19)24/h2-12,14H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyWUHPSVNSTFDIAS-UHFFFAOYSA-N
MW386.43 g/mol
LogP4.52
Rot. Bonds5

About 2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide

2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide (PubChem CID 95805486) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
PubChem CID95805486
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
SMILESCc1cnccc1-c1cn[nH]c1-c1ccc(CNC(=O)c2ccccc2F)cc1
InChIInChI=1S/C23H19FN4O/c1-15-12-25-11-10-18(15)20-14-27-28-22(20)17-8-6-16(7-9-17)13-26-23(29)19-4-2-3-5-21(19)24/h2-12,14H,13H2,1H3,(H,26,29)(H,27,28)
InChIKeyWUHPSVNSTFDIAS-UHFFFAOYSA-N
XLogP4.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide?
The IUPAC name of 2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide (CID 95805486) is 2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide is Cc1cnccc1-c1cn[nH]c1-c1ccc(CNC(=O)c2ccccc2F)cc1.
What is the InChIKey of 2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide?
The InChIKey is WUHPSVNSTFDIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-15-12-25-11-10-18(15)20-14-27-28-22(20)17-8-6-16(7-9-17)13-26-23(29)19-4-2-3-5-21(19)24/h2-12,14H,13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide?
2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide has a molecular weight of 386.43 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[4-[4-(3-methyl-4-pyridinyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 95805486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).