2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide

C15H16N4O2 — CID 52996605

IUPAC2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide
SMILESCc1nn(C)cc1CC(C#N)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C15H16N4O2/c1-10-12(9-19(2)18-10)6-11(8-16)15(21)17-13-4-3-5-14(20)7-13/h3-5,7,9,11,20H,6H2,1-2H3,(H,17,21)
InChIKeyXAHCXGCDCIZIRY-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.76
Rot. Bonds4

About 2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide

2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide (PubChem CID 52996605) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide
PubChem CID52996605
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide
SMILESCc1nn(C)cc1CC(C#N)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C15H16N4O2/c1-10-12(9-19(2)18-10)6-11(8-16)15(21)17-13-4-3-5-14(20)7-13/h3-5,7,9,11,20H,6H2,1-2H3,(H,17,21)
InChIKeyXAHCXGCDCIZIRY-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide?
The IUPAC name of 2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide (CID 52996605) is 2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide.
What is the SMILES notation for 2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide?
The canonical SMILES for 2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide is Cc1nn(C)cc1CC(C#N)C(=O)Nc1cccc(O)c1.
What is the InChIKey of 2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide?
The InChIKey is XAHCXGCDCIZIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-12(9-19(2)18-10)6-11(8-16)15(21)17-13-4-3-5-14(20)7-13/h3-5,7,9,11,20H,6H2,1-2H3,(H,17,21).
What are the key properties of 2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide?
2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide has a molecular weight of 284.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(1,3-dimethylpyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide is sourced from PubChem (CID 52996605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).