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

C19H18FN3O2 — CID 4231617

IUPAC4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C19H18FN3O2/c1-2-25-18-9-5-15(6-10-18)19(24)22-17-11-21-23(13-17)12-14-3-7-16(20)8-4-14/h3-11,13H,2,12H2,1H3,(H,22,24)
InChIKeyZFXSMSXDGSALNJ-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.72
Rot. Bonds6

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

4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 4231617) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID4231617
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C19H18FN3O2/c1-2-25-18-9-5-15(6-10-18)19(24)22-17-11-21-23(13-17)12-14-3-7-16(20)8-4-14/h3-11,13H,2,12H2,1H3,(H,22,24)
InChIKeyZFXSMSXDGSALNJ-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 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 4231617) is 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is CCOc1ccc(C(=O)Nc2cnn(Cc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is ZFXSMSXDGSALNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-2-25-18-9-5-15(6-10-18)19(24)22-17-11-21-23(13-17)12-14-3-7-16(20)8-4-14/h3-11,13H,2,12H2,1H3,(H,22,24).
What are the key properties of 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
4-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 4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 4231617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).