2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid

C16H19N3O3 — CID 119230901

IUPAC2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
SMILESCCc1ccc(CCC(=O)Nc2ccn(CC(=O)O)n2)cc1
InChIInChI=1S/C16H19N3O3/c1-2-12-3-5-13(6-4-12)7-8-15(20)17-14-9-10-19(18-14)11-16(21)22/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,22)(H,17,18,20)
InChIKeyCEAVDGHZHUWDLR-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.10
Rot. Bonds7

About 2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid

2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid (PubChem CID 119230901) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
PubChem CID119230901
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
SMILESCCc1ccc(CCC(=O)Nc2ccn(CC(=O)O)n2)cc1
InChIInChI=1S/C16H19N3O3/c1-2-12-3-5-13(6-4-12)7-8-15(20)17-14-9-10-19(18-14)11-16(21)22/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,22)(H,17,18,20)
InChIKeyCEAVDGHZHUWDLR-UHFFFAOYSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.10
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-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230904
2-[3-[3-[4-(cyclopropylsulfamoyl)phenyl]propanoylamino]pyrazol-1-yl]acetic acid
CID 119230806
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230672
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
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
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
2-[3-[[2-(2-phenylethoxy)acetyl]amino]pyrazol-1-yl]acetic acid
CID 119230954
2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid
CID 120524711
carbon dioxide;1-chloro-4-ethylbenzene;3-(4-chlorophenyl)-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]propanamide;1-(pyridin-4-ylmethyl)pyrazol-3-amine
CID 163734414
2-[3-[[1-(4-ethylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 119231065

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid (CID 119230901) is 2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid is CCc1ccc(CCC(=O)Nc2ccn(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is CEAVDGHZHUWDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-12-3-5-13(6-4-12)7-8-15(20)17-14-9-10-19(18-14)11-16(21)22/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,22)(H,17,18,20).
What are the key properties of 2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid?
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 301.35 g/mol, XLogP of 2.10, 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-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).