2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide

C13H19N5O — CID 46996097

IUPAC2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide
SMILESCc1cn(CC(=O)Nc2cc(C(C)C)nn2C)cn1
InChIInChI=1S/C13H19N5O/c1-9(2)11-5-12(17(4)16-11)15-13(19)7-18-6-10(3)14-8-18/h5-6,8-9H,7H2,1-4H3,(H,15,19)
InChIKeyOQHHMXURWACQIX-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.69
Rot. Bonds4

About 2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide

2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide (PubChem CID 46996097) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide
PubChem CID46996097
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide
SMILESCc1cn(CC(=O)Nc2cc(C(C)C)nn2C)cn1
InChIInChI=1S/C13H19N5O/c1-9(2)11-5-12(17(4)16-11)15-13(19)7-18-6-10(3)14-8-18/h5-6,8-9H,7H2,1-4H3,(H,15,19)
InChIKeyOQHHMXURWACQIX-UHFFFAOYSA-N
XLogP1.69
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide?
The IUPAC name of 2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide (CID 46996097) is 2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide is Cc1cn(CC(=O)Nc2cc(C(C)C)nn2C)cn1.
What is the InChIKey of 2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide?
The InChIKey is OQHHMXURWACQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-9(2)11-5-12(17(4)16-11)15-13(19)7-18-6-10(3)14-8-18/h5-6,8-9H,7H2,1-4H3,(H,15,19).
What are the key properties of 2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide?
2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide has a molecular weight of 261.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylimidazol-1-yl)-N-(1-methyl-3-propan-2-ylpyrazol-5-yl)acetamide is sourced from PubChem (CID 46996097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).