2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C19H18FN3O2 — CID 1224532

IUPAC2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H18FN3O2/c1-2-25-18-6-4-3-5-17(18)19(24)22-16-11-21-23(13-16)12-14-7-9-15(20)10-8-14/h3-11,13H,2,12H2,1H3,(H,22,24)
InChIKeyJKXSSNWYOVPUDX-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.72
Rot. Bonds6

About 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide

2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 1224532) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID1224532
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H18FN3O2/c1-2-25-18-6-4-3-5-17(18)19(24)22-16-11-21-23(13-16)12-14-7-9-15(20)10-8-14/h3-11,13H,2,12H2,1H3,(H,22,24)
InChIKeyJKXSSNWYOVPUDX-UHFFFAOYSA-N
XLogP3.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 1224532) is 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is CCOc1ccccc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is JKXSSNWYOVPUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-2-25-18-6-4-3-5-17(18)19(24)22-16-11-21-23(13-16)12-14-7-9-15(20)10-8-14/h3-11,13H,2,12H2,1H3,(H,22,24).
What are the key properties of 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 339.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 1224532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).