2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide

C23H20FN5O3 — CID 55787539

IUPAC2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3=NN(c4ccc(F)cc4)C(C(N)=O)C3)cn2)cc1
InChIInChI=1S/C23H20FN5O3/c1-14-2-9-18(10-3-14)32-21-11-6-16(13-26-21)27-23(31)19-12-20(22(25)30)29(28-19)17-7-4-15(24)5-8-17/h2-11,13,20H,12H2,1H3,(H2,25,30)(H,27,31)
InChIKeyHOYFXOYFPPXDFW-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.38
Rot. Bonds6

About 2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide

2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55787539) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID55787539
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)C3=NN(c4ccc(F)cc4)C(C(N)=O)C3)cn2)cc1
InChIInChI=1S/C23H20FN5O3/c1-14-2-9-18(10-3-14)32-21-11-6-16(13-26-21)27-23(31)19-12-20(22(25)30)29(28-19)17-7-4-15(24)5-8-17/h2-11,13,20H,12H2,1H3,(H2,25,30)(H,27,31)
InChIKeyHOYFXOYFPPXDFW-UHFFFAOYSA-N
XLogP3.38
TPSA109.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55787539) is 2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide is Cc1ccc(Oc2ccc(NC(=O)C3=NN(c4ccc(F)cc4)C(C(N)=O)C3)cn2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is HOYFXOYFPPXDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-14-2-9-18(10-3-14)32-21-11-6-16(13-26-21)27-23(31)19-12-20(22(25)30)29(28-19)17-7-4-15(24)5-8-17/h2-11,13,20H,12H2,1H3,(H2,25,30)(H,27,31).
What are the key properties of 2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 433.44 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55787539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).