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

C16H19N3O2 — CID 661785

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide
SMILESCc1cc(C)n(C(=O)CNC(=O)CCc2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12-10-13(2)19(18-12)16(21)11-17-15(20)9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,17,20)
InChIKeyCOOVOZMYZWLLJQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.89
Rot. Bonds5

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

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide (PubChem CID 661785) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide
PubChem CID661785
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide
SMILESCc1cc(C)n(C(=O)CNC(=O)CCc2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12-10-13(2)19(18-12)16(21)11-17-15(20)9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,17,20)
InChIKeyCOOVOZMYZWLLJQ-UHFFFAOYSA-N
XLogP1.89
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-3-phenylpropanamide
CID 35761342
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-phenylpropanamide
CID 19328839
N-(2-methylprop-2-enyl)-3-phenylpropanamide
CID 11469759
methyl 2-(3-phenylpropanoylamino)acetate
CID 3927875
2-(2-chloroanilino)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 703693
N-[2-(N-methylanilino)-2-oxoethyl]-3-phenylpropanamide
CID 112996270
N-(1,5-dimethylpyrazol-3-yl)-3-phenylpropanamide
CID 35761194
N-[6-(3,5-dimethylpyrazol-1-yl)-6-oxohexyl]benzamide
CID 6486736
acetylene;ethane;N-(2-oxopropyl)-3-phenylpropanamide
CID 170949279
1-(3,5-dimethylpyrazol-1-yl)-3-phenylpentan-1-one
CID 86062361
N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-phenylpropanamide
CID 110371175
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide (CID 661785) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide is Cc1cc(C)n(C(=O)CNC(=O)CCc2ccccc2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide?
The InChIKey is COOVOZMYZWLLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-10-13(2)19(18-12)16(21)11-17-15(20)9-8-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide has a molecular weight of 285.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-phenylpropanamide is sourced from PubChem (CID 661785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).