2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide

C16H22N4O — CID 61101804

IUPAC2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)Cc1ccccc1N
InChIInChI=1S/C16H22N4O/c1-10(2)20-12(4)16(11(3)19-20)18-15(21)9-13-7-5-6-8-14(13)17/h5-8,10H,9,17H2,1-4H3,(H,18,21)
InChIKeyQYHCFLQCDSCLSX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.84
Rot. Bonds4

About 2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide

2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide (PubChem CID 61101804) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
PubChem CID61101804
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
SMILESCc1nn(C(C)C)c(C)c1NC(=O)Cc1ccccc1N
InChIInChI=1S/C16H22N4O/c1-10(2)20-12(4)16(11(3)19-20)18-15(21)9-13-7-5-6-8-14(13)17/h5-8,10H,9,17H2,1-4H3,(H,18,21)
InChIKeyQYHCFLQCDSCLSX-UHFFFAOYSA-N
XLogP2.84
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.84
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

2-(3-amino-1,2,4-triazol-1-yl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 61101810
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide
CID 61101805
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-(2-nitrophenoxy)propanamide
CID 47893047
1-benzyl-3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-1-methylurea
CID 60611272
2-(cyclopropylamino)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide
CID 54863665
5-chloro-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide
CID 54867107
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-ethylbutanamide
CID 79809789
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-propoxyacetamide
CID 48678933
N-(2-amino-6-methylphenyl)-2-(2-methylphenyl)acetamide
CID 43152283
2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylpropanamide
CID 114328057
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)urea
CID 74232081
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide
CID 54863652

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide (CID 61101804) is 2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide is Cc1nn(C(C)C)c(C)c1NC(=O)Cc1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?
The InChIKey is QYHCFLQCDSCLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10(2)20-12(4)16(11(3)19-20)18-15(21)9-13-7-5-6-8-14(13)17/h5-8,10H,9,17H2,1-4H3,(H,18,21).
What are the key properties of 2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide?
2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetamide is sourced from PubChem (CID 61101804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).