5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C22H18F2N4O3 — CID 55888592

IUPAC5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)=NN1c1ccccc1
InChIInChI=1S/C22H18F2N4O3/c23-14-8-9-19(17(24)11-14)27(13-16-7-4-10-31-16)22(30)18-12-20(21(25)29)28(26-18)15-5-2-1-3-6-15/h1-11,20H,12-13H2,(H2,25,29)
InChIKeyIKMVTDYRJXJEJI-UHFFFAOYSA-N
MW424.41 g/mol
LogP3.21
Rot. Bonds6

About 5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55888592) has the molecular formula C22H18F2N4O3 and a molecular weight of 424.41 g/mol. Its IUPAC name is 5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID55888592
Molecular FormulaC22H18F2N4O3
Molecular Weight424.41 g/mol
Exact Mass424.13
IUPAC Name5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)=NN1c1ccccc1
InChIInChI=1S/C22H18F2N4O3/c23-14-8-9-19(17(24)11-14)27(13-16-7-4-10-31-16)22(30)18-12-20(21(25)29)28(26-18)15-5-2-1-3-6-15/h1-11,20H,12-13H2,(H2,25,29)
InChIKeyIKMVTDYRJXJEJI-UHFFFAOYSA-N
XLogP3.21
TPSA92.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-5-N-(furan-2-ylmethyl)-5-N-methyl-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 36619318
N-(2,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)-N-(furan-2-ylmethyl)benzamide
CID 55889353
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-3-phenylbutanamide
CID 55889992
N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-phenoxypropanamide
CID 55889101
5-[4-(2,4-difluorophenoxy)piperidine-1-carbonyl]-2-phenyl-3,4-dihydropyrazole-3-carboxamide
CID 112836577
1-(2,4-difluorophenyl)-1-(furan-2-ylmethyl)-3-(3,3,3-trifluoro-2-hydroxypropyl)urea
CID 71889559
N-(2,4-difluorophenyl)-1-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-4-carboxamide
CID 55889356
5-chloro-N-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)-2-nitrobenzamide
CID 75416181
5-acetyl-2-(4-fluorophenyl)-3,4-dihydropyrazole-3-carboxamide
CID 134102072
(3R)-5-N-(furan-3-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94066190
(3S)-5-N-methyl-2-phenyl-5-N-(thiophen-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51932851
(3R)-5-N-methyl-2-phenyl-5-N-(thiophen-3-ylmethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51932852

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55888592) is 5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)N(Cc2ccco2)c2ccc(F)cc2F)=NN1c1ccccc1.
What is the InChIKey of 5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is IKMVTDYRJXJEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3/c23-14-8-9-19(17(24)11-14)27(13-16-7-4-10-31-16)22(30)18-12-20(21(25)29)28(26-18)15-5-2-1-3-6-15/h1-11,20H,12-13H2,(H2,25,29).
What are the key properties of 5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 424.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,4-difluorophenyl)-5-N-(furan-2-ylmethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55888592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).