N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide

C16H22N4O — CID 78989578

IUPACN-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
SMILESCc1ccccc1NC(=O)CNCc1c(C)nn(C)c1C
InChIInChI=1S/C16H22N4O/c1-11-7-5-6-8-15(11)18-16(21)10-17-9-14-12(2)19-20(4)13(14)3/h5-8,17H,9-10H2,1-4H3,(H,18,21)
InChIKeySNXQBQCFZRMIGC-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.07
Rot. Bonds5

About N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide

N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide (PubChem CID 78989578) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
PubChem CID78989578
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
SMILESCc1ccccc1NC(=O)CNCc1c(C)nn(C)c1C
InChIInChI=1S/C16H22N4O/c1-11-7-5-6-8-15(11)18-16(21)10-17-9-14-12(2)19-20(4)13(14)3/h5-8,17H,9-10H2,1-4H3,(H,18,21)
InChIKeySNXQBQCFZRMIGC-UHFFFAOYSA-N
XLogP2.07
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide (CID 78989578) is N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide is Cc1ccccc1NC(=O)CNCc1c(C)nn(C)c1C.
What is the InChIKey of N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is SNXQBQCFZRMIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-7-5-6-8-15(11)18-16(21)10-17-9-14-12(2)19-20(4)13(14)3/h5-8,17H,9-10H2,1-4H3,(H,18,21).
What are the key properties of N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 78989578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).