2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid

C16H19N3O3 — CID 119231270

IUPAC2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1ccc(C(C)(C)C(=O)Nc2ccn(CC(=O)O)n2)cc1
InChIInChI=1S/C16H19N3O3/c1-11-4-6-12(7-5-11)16(2,3)15(22)17-13-8-9-19(18-13)10-14(20)21/h4-9H,10H2,1-3H3,(H,20,21)(H,17,18,22)
InChIKeyNJMNFXFGVGDOGB-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.19
Rot. Bonds5

About 2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119231270) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119231270
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1ccc(C(C)(C)C(=O)Nc2ccn(CC(=O)O)n2)cc1
InChIInChI=1S/C16H19N3O3/c1-11-4-6-12(7-5-11)16(2,3)15(22)17-13-8-9-19(18-13)10-14(20)21/h4-9H,10H2,1-3H3,(H,20,21)(H,17,18,22)
InChIKeyNJMNFXFGVGDOGB-UHFFFAOYSA-N
XLogP2.19
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid (CID 119231270) is 2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid is Cc1ccc(C(C)(C)C(=O)Nc2ccn(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is NJMNFXFGVGDOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-4-6-12(7-5-11)16(2,3)15(22)17-13-8-9-19(18-13)10-14(20)21/h4-9H,10H2,1-3H3,(H,20,21)(H,17,18,22).
What are the key properties of 2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 301.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-methyl-2-(4-methylphenyl)propanoyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).