2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide

C15H17N5O — CID 71851312

IUPAC2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2nc(C)c(C#N)c2N)c1
InChIInChI=1S/C15H17N5O/c1-9-4-5-10(2)13(6-9)18-14(21)8-20-15(17)12(7-16)11(3)19-20/h4-6H,8,17H2,1-3H3,(H,18,21)
InChIKeyNBDQQCJDPIRRKV-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.90
Rot. Bonds3

About 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide

2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 71851312) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide
PubChem CID71851312
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2nc(C)c(C#N)c2N)c1
InChIInChI=1S/C15H17N5O/c1-9-4-5-10(2)13(6-9)18-14(21)8-20-15(17)12(7-16)11(3)19-20/h4-6H,8,17H2,1-3H3,(H,18,21)
InChIKeyNBDQQCJDPIRRKV-UHFFFAOYSA-N
XLogP1.90
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide (CID 71851312) is 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cn2nc(C)c(C#N)c2N)c1.
What is the InChIKey of 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is NBDQQCJDPIRRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-9-4-5-10(2)13(6-9)18-14(21)8-20-15(17)12(7-16)11(3)19-20/h4-6H,8,17H2,1-3H3,(H,18,21).
What are the key properties of 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide?
2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 283.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-cyano-3-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 71851312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).