2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide

C17H19N5O2 — CID 60529931

IUPAC2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)C(C)(C)C#N)c1)n1cccn1
InChIInChI=1S/C17H19N5O2/c1-12(22-9-5-8-19-22)15(23)20-13-6-4-7-14(10-13)21-16(24)17(2,3)11-18/h4-10,12H,1-3H3,(H,20,23)(H,21,24)
InChIKeyZIJHWCMURVMSOC-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.57
Rot. Bonds5

About 2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide

2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide (PubChem CID 60529931) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide
PubChem CID60529931
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide
SMILESCC(C(=O)Nc1cccc(NC(=O)C(C)(C)C#N)c1)n1cccn1
InChIInChI=1S/C17H19N5O2/c1-12(22-9-5-8-19-22)15(23)20-13-6-4-7-14(10-13)21-16(24)17(2,3)11-18/h4-10,12H,1-3H3,(H,20,23)(H,21,24)
InChIKeyZIJHWCMURVMSOC-UHFFFAOYSA-N
XLogP2.57
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
2-pyrazol-1-yl-N-(3-sulfamoylphenyl)propanamide
CID 61067736
N-(4-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187532
2-pyrazol-1-yl-N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 71913696
4-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42959595
3-methoxy-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958662
2-[[3-(2-pyrazol-1-ylpropanoylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180632
3-(dimethylamino)-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 46427767
N-[2-oxo-2-[3-(2-pyrazol-1-ylpropanoylamino)anilino]ethyl]benzamide
CID 46468407
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 119717845

Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide?
The IUPAC name of 2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide (CID 60529931) is 2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide is CC(C(=O)Nc1cccc(NC(=O)C(C)(C)C#N)c1)n1cccn1.
What is the InChIKey of 2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide?
The InChIKey is ZIJHWCMURVMSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12(22-9-5-8-19-22)15(23)20-13-6-4-7-14(10-13)21-16(24)17(2,3)11-18/h4-10,12H,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide?
2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide has a molecular weight of 325.37 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]propanamide is sourced from PubChem (CID 60529931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).