3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid

C17H20FN3O3 — CID 72875177

IUPAC3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCCn1cc(C(=O)NC(CC(=O)O)c2ccccc2F)c(C)n1
InChIInChI=1S/C17H20FN3O3/c1-3-8-21-10-13(11(2)20-21)17(24)19-15(9-16(22)23)12-6-4-5-7-14(12)18/h4-7,10,15H,3,8-9H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyALTDIQNYLBWOOI-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.69
Rot. Bonds7

About 3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid

3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid (PubChem CID 72875177) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
PubChem CID72875177
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid
SMILESCCCn1cc(C(=O)NC(CC(=O)O)c2ccccc2F)c(C)n1
InChIInChI=1S/C17H20FN3O3/c1-3-8-21-10-13(11(2)20-21)17(24)19-15(9-16(22)23)12-6-4-5-7-14(12)18/h4-7,10,15H,3,8-9H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyALTDIQNYLBWOOI-UHFFFAOYSA-N
XLogP2.69
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylamino)-1-phenylpropyl]-3-methyl-1-propylpyrazole-4-carboxamide
CID 118796171
(2S)-2-(3-chloro-4-fluorophenyl)-2-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid
CID 97283830
3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
CID 74242834
(3S)-3-(2-fluorophenyl)-3-[(2,6,8-trimethylquinoline-4-carbonyl)amino]propanoic acid
CID 97270377
N-[(1R)-2-hydroxy-1-phenylethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103772742
3-methyl-1-propyl-N-[(1R)-1-(2-propyl-1,2,4-triazol-3-yl)ethyl]pyrazole-4-carboxamide
CID 125175780
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazole-4-carboxamide
CID 131908727
3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide
CID 125436634
3-methyl-1-propylpyrazole-4-carbonyl chloride
CID 15616731
3-[[6-(2-ethoxyphenyl)-5-methoxypyridine-2-carbonyl]amino]-3-(2-fluorophenyl)propanoic acid
CID 90095528
3-methyl-1-propyl-N-[(1S)-1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-4-carboxamide
CID 97126973
(3R)-3-(2-fluorophenyl)-3-[(6-oxo-2-pyridin-4-yl-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 97438177

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid (CID 72875177) is 3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid is CCCn1cc(C(=O)NC(CC(=O)O)c2ccccc2F)c(C)n1.
What is the InChIKey of 3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid?
The InChIKey is ALTDIQNYLBWOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-3-8-21-10-13(11(2)20-21)17(24)19-15(9-16(22)23)12-6-4-5-7-14(12)18/h4-7,10,15H,3,8-9H2,1-2H3,(H,19,24)(H,22,23).
What are the key properties of 3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid?
3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid has a molecular weight of 333.36 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-3-[(3-methyl-1-propylpyrazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 72875177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).