N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide

C24H20FN3O2 — CID 69071177

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccc(COc2ccccc2)c1
InChIInChI=1S/C24H20FN3O2/c25-21-11-9-18(10-12-21)15-28-16-22(14-26-28)27-24(29)20-6-4-5-19(13-20)17-30-23-7-2-1-3-8-23/h1-14,16H,15,17H2,(H,27,29)
InChIKeyOTSJHEZDYWSROA-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.90
Rot. Bonds7

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide (PubChem CID 69071177) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide
PubChem CID69071177
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccc(COc2ccccc2)c1
InChIInChI=1S/C24H20FN3O2/c25-21-11-9-18(10-12-21)15-28-16-22(14-26-28)27-24(29)20-6-4-5-19(13-20)17-30-23-7-2-1-3-8-23/h1-14,16H,15,17H2,(H,27,29)
InChIKeyOTSJHEZDYWSROA-UHFFFAOYSA-N
XLogP4.90
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide (CID 69071177) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cccc(COc2ccccc2)c1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide?
The InChIKey is OTSJHEZDYWSROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c25-21-11-9-18(10-12-21)15-28-16-22(14-26-28)27-24(29)20-6-4-5-19(13-20)17-30-23-7-2-1-3-8-23/h1-14,16H,15,17H2,(H,27,29).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide has a molecular weight of 401.44 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(phenoxymethyl)benzamide is sourced from PubChem (CID 69071177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).