2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid

C15H16N4O2 — CID 63758692

IUPAC2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid
SMILESCc1nn(C)c(NC(C)(C(=O)O)c2ccccc2)c1C#N
InChIInChI=1S/C15H16N4O2/c1-10-12(9-16)13(19(3)18-10)17-15(2,14(20)21)11-7-5-4-6-8-11/h4-8,17H,1-3H3,(H,20,21)
InChIKeyWEOCQUSPWVHVHW-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.01
Rot. Bonds4

About 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid

2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid (PubChem CID 63758692) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid
PubChem CID63758692
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid
SMILESCc1nn(C)c(NC(C)(C(=O)O)c2ccccc2)c1C#N
InChIInChI=1S/C15H16N4O2/c1-10-12(9-16)13(19(3)18-10)17-15(2,14(20)21)11-7-5-4-6-8-11/h4-8,17H,1-3H3,(H,20,21)
InChIKeyWEOCQUSPWVHVHW-UHFFFAOYSA-N
XLogP2.01
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid?
The IUPAC name of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid (CID 63758692) is 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid?
The canonical SMILES for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid is Cc1nn(C)c(NC(C)(C(=O)O)c2ccccc2)c1C#N.
What is the InChIKey of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid?
The InChIKey is WEOCQUSPWVHVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-12(9-16)13(19(3)18-10)17-15(2,14(20)21)11-7-5-4-6-8-11/h4-8,17H,1-3H3,(H,20,21).
What are the key properties of 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid?
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]-2-phenylpropanoic acid is sourced from PubChem (CID 63758692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).