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

C15H17N3O3 — CID 119230672

IUPAC2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
SMILESCc1ccccc1CCC(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C15H17N3O3/c1-11-4-2-3-5-12(11)6-7-14(19)16-13-8-9-18(17-13)10-15(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)(H,16,17,19)
InChIKeyUEFWUBOVUMELHS-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.85
Rot. Bonds6

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

2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid (PubChem CID 119230672) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
PubChem CID119230672
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
SMILESCc1ccccc1CCC(=O)Nc1ccn(CC(=O)O)n1
InChIInChI=1S/C15H17N3O3/c1-11-4-2-3-5-12(11)6-7-14(19)16-13-8-9-18(17-13)10-15(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)(H,16,17,19)
InChIKeyUEFWUBOVUMELHS-UHFFFAOYSA-N
XLogP1.85
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(2-methylphenyl)propanoylamino]triazol-2-yl]acetic acid
CID 112534468
2-[3-(butanoylamino)pyrazol-1-yl]acetic acid
CID 119230770
2-[3-[3-(4-ethylphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 119230901
2-[4-[[1-[(2-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500485
2-[3-(4,4-dimethylpentanoylamino)pyrazol-1-yl]acetic acid
CID 119230848
2-[3-[[1-(2-methylphenyl)cyclopropanecarbonyl]amino]pyrazol-1-yl]acetic acid
CID 126786946
3-(2,4-dimethylphenyl)-N-[1-[2-(ethylamino)-2-oxoethyl]pyrazol-3-yl]propanamide
CID 56784807
2-[3-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]pyrazol-1-yl]acetic acid
CID 119231174
3-(2-methylphenyl)-N-(2-methyltriazol-4-yl)propanamide
CID 112535330
2-[3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]pyrazol-1-yl]acetic acid
CID 120524711
2-[3-(4-ethoxybutanoylamino)pyrazol-1-yl]acetic acid
CID 119231036
2-[3-[[5-(diethylamino)-5-oxopentanoyl]amino]pyrazol-1-yl]acetic acid
CID 119230833

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid (CID 119230672) is 2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid is Cc1ccccc1CCC(=O)Nc1ccn(CC(=O)O)n1.
What is the InChIKey of 2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid?
The InChIKey is UEFWUBOVUMELHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-4-2-3-5-12(11)6-7-14(19)16-13-8-9-18(17-13)10-15(20)21/h2-5,8-9H,6-7,10H2,1H3,(H,20,21)(H,16,17,19).
What are the key properties of 2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid?
2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(2-methylphenyl)propanoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).