2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid

C17H21N3O3 — CID 119204742

IUPAC2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cnn(-c2cccc(C)c2)c1C
InChIInChI=1S/C17H21N3O3/c1-4-8-19(11-16(21)22)17(23)15-10-18-20(13(15)3)14-7-5-6-12(2)9-14/h5-7,9-10H,4,8,11H2,1-3H3,(H,21,22)
InChIKeyGGAMYELHYZNKLA-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.43
Rot. Bonds6

About 2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid

2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid (PubChem CID 119204742) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid
PubChem CID119204742
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)c1cnn(-c2cccc(C)c2)c1C
InChIInChI=1S/C17H21N3O3/c1-4-8-19(11-16(21)22)17(23)15-10-18-20(13(15)3)14-7-5-6-12(2)9-14/h5-7,9-10H,4,8,11H2,1-3H3,(H,21,22)
InChIKeyGGAMYELHYZNKLA-UHFFFAOYSA-N
XLogP2.43
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid?
The IUPAC name of 2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid (CID 119204742) is 2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)c1cnn(-c2cccc(C)c2)c1C.
What is the InChIKey of 2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid?
The InChIKey is GGAMYELHYZNKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-4-8-19(11-16(21)22)17(23)15-10-18-20(13(15)3)14-7-5-6-12(2)9-14/h5-7,9-10H,4,8,11H2,1-3H3,(H,21,22).
What are the key properties of 2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid?
2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid has a molecular weight of 315.37 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid is sourced from PubChem (CID 119204742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).