3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide

C22H24FN5O3 — CID 56571263

IUPAC3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H24FN5O3/c1-27(13-11-22(29)24-18-4-2-6-20(14-18)28(30)31)12-3-5-19-15-21(26-25-19)16-7-9-17(23)10-8-16/h2,4,6-10,14-15H,3,5,11-13H2,1H3,(H,24,29)(H,25,26)
InChIKeyMZVOKBCMYLTROC-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.02
Rot. Bonds10

About 3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide

3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide (PubChem CID 56571263) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide
PubChem CID56571263
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C22H24FN5O3/c1-27(13-11-22(29)24-18-4-2-6-20(14-18)28(30)31)12-3-5-19-15-21(26-25-19)16-7-9-17(23)10-8-16/h2,4,6-10,14-15H,3,5,11-13H2,1H3,(H,24,29)(H,25,26)
InChIKeyMZVOKBCMYLTROC-UHFFFAOYSA-N
XLogP4.02
TPSA104.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 56570962
4-(4-fluorophenyl)-N-(3-nitrophenyl)-4-oxobutanamide
CID 9411044
[2-(4-fluorophenyl)-2-oxoethyl] 4-(3-nitroanilino)-4-oxobutanoate
CID 2291760
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(2-phenylethyl)acetamide
CID 56539392
N-(3-cyanophenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]propanamide
CID 56539527
3-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(3-nitrophenyl)propanamide
CID 78840441
2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(1-phenylethyl)acetamide
CID 56539587
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8961793
N-(4-fluorophenyl)-2-[2-(3-nitroanilino)-2-oxoethyl]sulfanylacetamide
CID 26561688
N-methyl-2-(4-nitrophenyl)-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]acetamide
CID 55813861
3-(methylamino)-N-(3-nitrophenyl)propanamide
CID 60716317
4-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-nitrobenzamide
CID 52692671

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide?
The IUPAC name of 3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide (CID 56571263) is 3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide is CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide?
The InChIKey is MZVOKBCMYLTROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c1-27(13-11-22(29)24-18-4-2-6-20(14-18)28(30)31)12-3-5-19-15-21(26-25-19)16-7-9-17(23)10-8-16/h2,4,6-10,14-15H,3,5,11-13H2,1H3,(H,24,29)(H,25,26).
What are the key properties of 3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide?
3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide has a molecular weight of 425.46 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 56571263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).