2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

C14H14N4O — CID 2440126

IUPAC2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CC#N)cc1
InChIInChI=1S/C14H14N4O/c1-10-3-5-12(6-4-10)18-13(9-11(2)17-18)16-14(19)7-8-15/h3-6,9H,7H2,1-2H3,(H,16,19)
InChIKeyOMUUIKXCAZSGPT-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.34
Rot. Bonds3

About 2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide

2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (PubChem CID 2440126) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
PubChem CID2440126
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
SMILESCc1ccc(-n2nc(C)cc2NC(=O)CC#N)cc1
InChIInChI=1S/C14H14N4O/c1-10-3-5-12(6-4-10)18-13(9-11(2)17-18)16-14(19)7-8-15/h3-6,9H,7H2,1-2H3,(H,16,19)
InChIKeyOMUUIKXCAZSGPT-UHFFFAOYSA-N
XLogP2.34
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide (CID 2440126) is 2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is Cc1ccc(-n2nc(C)cc2NC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
The InChIKey is OMUUIKXCAZSGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-10-3-5-12(6-4-10)18-13(9-11(2)17-18)16-14(19)7-8-15/h3-6,9H,7H2,1-2H3,(H,16,19).
What are the key properties of 2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide?
2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide has a molecular weight of 254.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 2440126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).