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

C16H22N4O — CID 78989575

IUPACN-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
SMILESCc1ccc(NC(=O)CNCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H22N4O/c1-11-5-7-14(8-6-11)18-16(21)10-17-9-15-12(2)19-20(4)13(15)3/h5-8,17H,9-10H2,1-4H3,(H,18,21)
InChIKeyLTNIENKJYPHQGY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.07
Rot. Bonds5

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

N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide (PubChem CID 78989575) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
PubChem CID78989575
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
SMILESCc1ccc(NC(=O)CNCc2c(C)nn(C)c2C)cc1
InChIInChI=1S/C16H22N4O/c1-11-5-7-14(8-6-11)18-16(21)10-17-9-15-12(2)19-20(4)13(15)3/h5-8,17H,9-10H2,1-4H3,(H,18,21)
InChIKeyLTNIENKJYPHQGY-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

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Related Compounds

N-(2-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide
CID 78989578
methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 43730207
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(4-methylphenyl)acetamide
CID 115989744
1-(4-methylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885076
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 38167692
N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide
CID 22209486
3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide
CID 959379
propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
CID 79237085
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
N-[4-(prop-2-enylcarbamoylamino)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 39193239
N-[4-(4-bromophenyl)sulfanylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 46513607

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide (CID 78989575) is N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide is Cc1ccc(NC(=O)CNCc2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is LTNIENKJYPHQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-5-7-14(8-6-11)18-16(21)10-17-9-15-12(2)19-20(4)13(15)3/h5-8,17H,9-10H2,1-4H3,(H,18,21).
What are the key properties of N-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide?
N-(4-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-(4-methylphenyl)-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 78989575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).