2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide

C16H22N4O — CID 115289593

IUPAC2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C16H22N4O/c1-10(2)13-7-5-6-11(3)15(13)19-16(21)14(17)12-8-18-20(4)9-12/h5-10,14H,17H2,1-4H3,(H,19,21)
InChIKeyCGUFYBRIYBDPRW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.49
Rot. Bonds4

About 2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115289593) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115289593
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)C(N)c1cnn(C)c1
InChIInChI=1S/C16H22N4O/c1-10(2)13-7-5-6-11(3)15(13)19-16(21)14(17)12-8-18-20(4)9-12/h5-10,14H,17H2,1-4H3,(H,19,21)
InChIKeyCGUFYBRIYBDPRW-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-phenylacetamide
CID 22691784
2-amino-N-[(1S)-1-(2-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291040
2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289607
2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290771
2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
2-amino-2-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 115289678
2-amino-N-(4-bromo-3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107574153
2-amino-N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291042
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
2-amino-N-[(1R)-1-(4-methylphenyl)ethyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115291021
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-amino-N-(5-bromo-3-methyl-2-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 83167255

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115289593) is 2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide is Cc1cccc(C(C)C)c1NC(=O)C(N)c1cnn(C)c1.
What is the InChIKey of 2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is CGUFYBRIYBDPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10(2)13-7-5-6-11(3)15(13)19-16(21)14(17)12-8-18-20(4)9-12/h5-10,14H,17H2,1-4H3,(H,19,21).
What are the key properties of 2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-6-propan-2-ylphenyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115289593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).