3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid

C19H25FN4O3 — CID 122019002

IUPAC3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
SMILESCN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)NCCC(=O)O
InChIInChI=1S/C19H25FN4O3/c1-24(19(27)21-11-10-18(25)26)12-4-2-3-5-16-13-17(23-22-16)14-6-8-15(20)9-7-14/h6-9,13H,2-5,10-12H2,1H3,(H,21,27)(H,22,23)(H,25,26)
InChIKeyIZJSAGQCKAFELZ-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.04
Rot. Bonds10

About 3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid

3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid (PubChem CID 122019002) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
PubChem CID122019002
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
SMILESCN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)NCCC(=O)O
InChIInChI=1S/C19H25FN4O3/c1-24(19(27)21-11-10-18(25)26)12-4-2-3-5-16-13-17(23-22-16)14-6-8-15(20)9-7-14/h6-9,13H,2-5,10-12H2,1H3,(H,21,27)(H,22,23)(H,25,26)
InChIKeyIZJSAGQCKAFELZ-UHFFFAOYSA-N
XLogP3.04
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylcarbamoyl]amino]butanoic acid
CID 122021510
1-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(4-methylphenyl)urea
CID 51127515
1-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylcyclopropane-1-carboxamide
CID 119757350
2,4-difluoro-N-[3-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]-3-oxopropyl]benzamide
CID 55766799
3-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid
CID 122019137
3-(dimethylsulfamoyl)-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylbenzamide
CID 55863145
2-bromo-4-fluoro-N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methylbenzamide
CID 55866365
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-3-(4-methylphenyl)propanamide
CID 55766895
N-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-1H-indazole-3-carboxamide
CID 86998733
N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 60525442
4-amino-N-[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-3-nitrobenzamide
CID 52692671
2,2-dimethyl-N-[3-[methyl-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]amino]-3-oxopropyl]propanamide
CID 55970028

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid (CID 122019002) is 3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid is CN(CCCCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid?
The InChIKey is IZJSAGQCKAFELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-24(19(27)21-11-10-18(25)26)12-4-2-3-5-16-13-17(23-22-16)14-6-8-15(20)9-7-14/h6-9,13H,2-5,10-12H2,1H3,(H,21,27)(H,22,23)(H,25,26).
What are the key properties of 3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid?
3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid has a molecular weight of 376.43 g/mol, XLogP of 3.04, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]pentyl-methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 122019002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).