5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide

C20H16F2N6O2 — CID 60522345

IUPAC5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)=NN1c1ccc(F)cc1
InChIInChI=1S/C20H16F2N6O2/c21-12-1-4-14(5-2-12)28-18(19(23)29)10-16(26-28)20(30)25-13-3-6-17(15(22)9-13)27-8-7-24-11-27/h1-9,11,18H,10H2,(H2,23,29)(H,25,30)
InChIKeyBCWRMCPMDHMZIH-UHFFFAOYSA-N
MW410.38 g/mol
LogP2.21
Rot. Bonds5

About 5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 60522345) has the molecular formula C20H16F2N6O2 and a molecular weight of 410.38 g/mol. Its IUPAC name is 5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID60522345
Molecular FormulaC20H16F2N6O2
Molecular Weight410.38 g/mol
Exact Mass410.13
IUPAC Name5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)=NN1c1ccc(F)cc1
InChIInChI=1S/C20H16F2N6O2/c21-12-1-4-14(5-2-12)28-18(19(23)29)10-16(26-28)20(30)25-13-3-6-17(15(22)9-13)27-8-7-24-11-27/h1-9,11,18H,10H2,(H2,23,29)(H,25,30)
InChIKeyBCWRMCPMDHMZIH-UHFFFAOYSA-N
XLogP2.21
TPSA105.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-5-N-(2-methyl-1,3-dioxoisoindol-5-yl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55560989
5-N-(4-ethyl-3-nitrophenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 86928208
2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55903469
5-fluoro-N-(3-fluoro-4-imidazol-1-ylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 55955783
2-(4-fluorophenyl)-5-N-[6-(4-methylphenoxy)-3-pyridinyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55787539
5-N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55727016
N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 47059878
(3S)-5-N-[4-(dimethylamino)-2-methylphenyl]-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51949549
(3S)-2-(4-fluorophenyl)-5-N-(2-pyridin-2-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39898089
5-N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 56500355
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159
5-N-(2-ethylsulfonylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55613122

Frequently Asked Questions

What is the IUPAC name of 5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide (CID 60522345) is 5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)=NN1c1ccc(F)cc1.
What is the InChIKey of 5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is BCWRMCPMDHMZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N6O2/c21-12-1-4-14(5-2-12)28-18(19(23)29)10-16(26-28)20(30)25-13-3-6-17(15(22)9-13)27-8-7-24-11-27/h1-9,11,18H,10H2,(H2,23,29)(H,25,30).
What are the key properties of 5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 410.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-fluoro-4-imidazol-1-ylphenyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 60522345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).