N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide

C24H20FN3O — CID 2225156

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20FN3O/c25-21-13-11-18(12-14-21)16-28-17-22(15-26-28)27-24(29)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15,17,23H,16H2,(H,27,29)
InChIKeyKAPBRJCXRLLTSE-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.84
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide (PubChem CID 2225156) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide
PubChem CID2225156
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20FN3O/c25-21-13-11-18(12-14-21)16-28-17-22(15-26-28)27-24(29)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15,17,23H,16H2,(H,27,29)
InChIKeyKAPBRJCXRLLTSE-UHFFFAOYSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide (CID 2225156) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide?
The InChIKey is KAPBRJCXRLLTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c25-21-13-11-18(12-14-21)16-28-17-22(15-26-28)27-24(29)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-15,17,23H,16H2,(H,27,29).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide has a molecular weight of 385.44 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-2,2-diphenylacetamide is sourced from PubChem (CID 2225156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).