2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide

C24H21FN6O3 — CID 55903469

IUPAC2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)=NN1c1ccc(F)cc1
InChIInChI=1S/C24H21FN6O3/c25-17-4-6-19(7-5-17)31-21(22(26)32)13-20(30-31)24(34)28-14-15-2-1-3-18(12-15)29-23(33)16-8-10-27-11-9-16/h1-12,21H,13-14H2,(H2,26,32)(H,28,34)(H,29,33)
InChIKeyXRYQTIRQGCSPMG-UHFFFAOYSA-N
MW460.47 g/mol
LogP2.21
Rot. Bonds7

About 2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide

2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55903469) has the molecular formula C24H21FN6O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID55903469
Molecular FormulaC24H21FN6O3
Molecular Weight460.47 g/mol
Exact Mass460.17
IUPAC Name2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)=NN1c1ccc(F)cc1
InChIInChI=1S/C24H21FN6O3/c25-17-4-6-19(7-5-17)31-21(22(26)32)13-20(30-31)24(34)28-14-15-2-1-3-18(12-15)29-23(33)16-8-10-27-11-9-16/h1-12,21H,13-14H2,(H2,26,32)(H,28,34)(H,29,33)
InChIKeyXRYQTIRQGCSPMG-UHFFFAOYSA-N
XLogP2.21
TPSA129.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55971413
2-(4-fluorophenyl)-5-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 56586284
5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 60522345
N-[3-(benzamidomethyl)phenyl]pyridine-4-carboxamide
CID 166187411
2-(4-fluorophenyl)-5-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55560989
5-N-(1,3-benzothiazol-2-ylmethyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 134027985
5-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46483778
5-N-[3-(2,5-dioxoimidazolidin-1-yl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 166190072
(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94066190
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[[2-(2-fluorophenoxy)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903588
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55903469) is 2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)NCc2cccc(NC(=O)c3ccncc3)c2)=NN1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is XRYQTIRQGCSPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3/c25-17-4-6-19(7-5-17)31-21(22(26)32)13-20(30-31)24(34)28-14-15-2-1-3-18(12-15)29-23(33)16-8-10-27-11-9-16/h1-12,21H,13-14H2,(H2,26,32)(H,28,34)(H,29,33).
What are the key properties of 2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 460.47 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55903469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).