N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide

C16H21N3O — CID 5459528

IUPACN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide
SMILESCc1cc(CNC(=O)C(C)Cc2ccccc2)nn1C
InChIInChI=1S/C16H21N3O/c1-12(9-14-7-5-4-6-8-14)16(20)17-11-15-10-13(2)19(3)18-15/h4-8,10,12H,9,11H2,1-3H3,(H,17,20)
InChIKeyVEZBZWYIGRSTOL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.22
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide

N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide (PubChem CID 5459528) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide
PubChem CID5459528
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide
SMILESCc1cc(CNC(=O)C(C)Cc2ccccc2)nn1C
InChIInChI=1S/C16H21N3O/c1-12(9-14-7-5-4-6-8-14)16(20)17-11-15-10-13(2)19(3)18-15/h4-8,10,12H,9,11H2,1-3H3,(H,17,20)
InChIKeyVEZBZWYIGRSTOL-UHFFFAOYSA-N
XLogP2.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide (CID 5459528) is N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide is Cc1cc(CNC(=O)C(C)Cc2ccccc2)nn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide?
The InChIKey is VEZBZWYIGRSTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(9-14-7-5-4-6-8-14)16(20)17-11-15-10-13(2)19(3)18-15/h4-8,10,12H,9,11H2,1-3H3,(H,17,20).
What are the key properties of N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide?
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide has a molecular weight of 271.36 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 5459528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).