2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide

C16H22N4O — CID 61101805

IUPAC2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(C)nn(C(C)C)c2C)c1N
InChIInChI=1S/C16H22N4O/c1-9(2)20-12(5)15(11(4)19-20)18-16(21)13-8-6-7-10(3)14(13)17/h6-9H,17H2,1-5H3,(H,18,21)
InChIKeyLMUPLFDFTJCKRJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.22
Rot. Bonds3

About 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide

2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide (PubChem CID 61101805) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide
PubChem CID61101805
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2c(C)nn(C(C)C)c2C)c1N
InChIInChI=1S/C16H22N4O/c1-9(2)20-12(5)15(11(4)19-20)18-16(21)13-8-6-7-10(3)14(13)17/h6-9H,17H2,1-5H3,(H,18,21)
InChIKeyLMUPLFDFTJCKRJ-UHFFFAOYSA-N
XLogP3.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide
CID 65307383
2-amino-N-(2,6-dichlorophenyl)-3-methylbenzamide
CID 65468476
2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 61101804
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 65488700
4-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62080765
2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylpropanamide
CID 114328057
2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616261
2-amino-N-(2-iodophenyl)-3-methylbenzamide
CID 28977715
2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 61101810
2-amino-3-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 30117627
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide
CID 79809789
2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbenzamide
CID 102903119

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide (CID 61101805) is 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2c(C)nn(C(C)C)c2C)c1N.
What is the InChIKey of 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide?
The InChIKey is LMUPLFDFTJCKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-9(2)20-12(5)15(11(4)19-20)18-16(21)13-8-6-7-10(3)14(13)17/h6-9H,17H2,1-5H3,(H,18,21).
What are the key properties of 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide?
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide is sourced from PubChem (CID 61101805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).