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

C23H26FN5O3 — CID 55971413

IUPAC2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NCc2cccc(CN3CCOCC3)c2)=NN1c1ccc(F)cc1
InChIInChI=1S/C23H26FN5O3/c24-18-4-6-19(7-5-18)29-21(22(25)30)13-20(27-29)23(31)26-14-16-2-1-3-17(12-16)15-28-8-10-32-11-9-28/h1-7,12,21H,8-11,13-15H2,(H2,25,30)(H,26,31)
InChIKeyDJOWXVCVBBGPAJ-UHFFFAOYSA-N
MW439.49 g/mol
LogP1.39
Rot. Bonds7

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

2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 55971413) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID55971413
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NCc2cccc(CN3CCOCC3)c2)=NN1c1ccc(F)cc1
InChIInChI=1S/C23H26FN5O3/c24-18-4-6-19(7-5-18)29-21(22(25)30)13-20(27-29)23(31)26-14-16-2-1-3-17(12-16)15-28-8-10-32-11-9-28/h1-7,12,21H,8-11,13-15H2,(H2,25,30)(H,26,31)
InChIKeyDJOWXVCVBBGPAJ-UHFFFAOYSA-N
XLogP1.39
TPSA100.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-fluorophenyl)-5-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55903469
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CID 46434400
5-N-(1,3-benzothiazol-2-ylmethyl)-2-(4-fluorophenyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 134027985
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CID 94136673
N-[(5-fluoro-2-morpholin-4-ylphenyl)methyl]-3-(morpholin-4-ylmethyl)benzamide
CID 166212710
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CID 55970907
2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55814732
2-(4-fluorophenyl)-5-N-[2-(4-methylphenoxy)ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 42949836
2-methyl-5-methylsulfanyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
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N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 94134184
(3S)-5-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94562873
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CID 60548774

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide (CID 55971413) is 2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)NCc2cccc(CN3CCOCC3)c2)=NN1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is DJOWXVCVBBGPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3/c24-18-4-6-19(7-5-18)29-21(22(25)30)13-20(27-29)23(31)26-14-16-2-1-3-17(12-16)15-28-8-10-32-11-9-28/h1-7,12,21H,8-11,13-15H2,(H2,25,30)(H,26,31).
What are the key properties of 2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide?
2-(4-fluorophenyl)-5-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 439.49 g/mol, XLogP of 1.39, 7 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-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 55971413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).