N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide

C26H19FN4O — CID 15513082

IUPACN-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccnc2ccccc12
InChIInChI=1S/C26H19FN4O/c27-19-12-10-18(11-13-19)25-24(21-14-15-28-22-9-5-4-8-20(21)22)26(31-30-25)29-23(32)16-17-6-2-1-3-7-17/h1-15H,16H2,(H2,29,30,31,32)
InChIKeyDGUUHYKJXJRENW-UHFFFAOYSA-N
MW422.46 g/mol
LogP5.61
Rot. Bonds5

About N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide

N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide (PubChem CID 15513082) has the molecular formula C26H19FN4O and a molecular weight of 422.46 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide
PubChem CID15513082
Molecular FormulaC26H19FN4O
Molecular Weight422.46 g/mol
Exact Mass422.15
IUPAC NameN-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccnc2ccccc12
InChIInChI=1S/C26H19FN4O/c27-19-12-10-18(11-13-19)25-24(21-14-15-28-22-9-5-4-8-20(21)22)26(31-30-25)29-23(32)16-17-6-2-1-3-7-17/h1-15H,16H2,(H2,29,30,31,32)
InChIKeyDGUUHYKJXJRENW-UHFFFAOYSA-N
XLogP5.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide (CID 15513082) is N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccnc2ccccc12.
What is the InChIKey of N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide?
The InChIKey is DGUUHYKJXJRENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O/c27-19-12-10-18(11-13-19)25-24(21-14-15-28-22-9-5-4-8-20(21)22)26(31-30-25)29-23(32)16-17-6-2-1-3-7-17/h1-15H,16H2,(H2,29,30,31,32).
What are the key properties of N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide?
N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide has a molecular weight of 422.46 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-4-quinolin-4-yl-1H-pyrazol-3-yl]-2-phenylacetamide is sourced from PubChem (CID 15513082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).