2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid

C17H21N3O3 — CID 119231284

IUPAC2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid
SMILESCCC(CC(=O)Nc1ccn(CC(=O)O)n1)c1ccc(C)cc1
InChIInChI=1S/C17H21N3O3/c1-3-13(14-6-4-12(2)5-7-14)10-16(21)18-15-8-9-20(19-15)11-17(22)23/h4-9,13H,3,10-11H2,1-2H3,(H,22,23)(H,18,19,21)
InChIKeyZVUXFZBJHUSHSP-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.80
Rot. Bonds7

About 2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid

2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid (PubChem CID 119231284) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid
PubChem CID119231284
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid
SMILESCCC(CC(=O)Nc1ccn(CC(=O)O)n1)c1ccc(C)cc1
InChIInChI=1S/C17H21N3O3/c1-3-13(14-6-4-12(2)5-7-14)10-16(21)18-15-8-9-20(19-15)11-17(22)23/h4-9,13H,3,10-11H2,1-2H3,(H,22,23)(H,18,19,21)
InChIKeyZVUXFZBJHUSHSP-UHFFFAOYSA-N
XLogP2.80
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 119231270
2-[3-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230485
3-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119177620
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
2-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119225866
2-[3-[2-(2-methyl-5-propan-2-ylphenoxy)propanoylamino]pyrazol-1-yl]acetic acid
CID 119231144
2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230833
2-[3-(4-ethoxybutanoylamino)pyrazol-1-yl]acetic acid
CID 119231036
2-[[4-[3-(4-methylphenyl)pentanoylamino]benzoyl]amino]acetic acid
CID 119220552
methyl 2-[3-[[2-amino-2-(4-methylphenyl)acetyl]amino]pyrazol-1-yl]acetate
CID 120667703

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid (CID 119231284) is 2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid is CCC(CC(=O)Nc1ccn(CC(=O)O)n1)c1ccc(C)cc1.
What is the InChIKey of 2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is ZVUXFZBJHUSHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-13(14-6-4-12(2)5-7-14)10-16(21)18-15-8-9-20(19-15)11-17(22)23/h4-9,13H,3,10-11H2,1-2H3,(H,22,23)(H,18,19,21).
What are the key properties of 2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid?
2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 315.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(4-methylphenyl)pentanoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).