N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide

C14H21N5O — CID 46990430

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide
SMILESCc1cn(CC(=O)Nc2cc(C(C)(C)C)nn2C)cn1
InChIInChI=1S/C14H21N5O/c1-10-7-19(9-15-10)8-13(20)16-12-6-11(14(2,3)4)17-18(12)5/h6-7,9H,8H2,1-5H3,(H,16,20)
InChIKeyNXWNLTMOULWBJU-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.86
Rot. Bonds3

About N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide (PubChem CID 46990430) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide
PubChem CID46990430
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide
SMILESCc1cn(CC(=O)Nc2cc(C(C)(C)C)nn2C)cn1
InChIInChI=1S/C14H21N5O/c1-10-7-19(9-15-10)8-13(20)16-12-6-11(14(2,3)4)17-18(12)5/h6-7,9H,8H2,1-5H3,(H,16,20)
InChIKeyNXWNLTMOULWBJU-UHFFFAOYSA-N
XLogP1.86
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide (CID 46990430) is N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide is Cc1cn(CC(=O)Nc2cc(C(C)(C)C)nn2C)cn1.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide?
The InChIKey is NXWNLTMOULWBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-7-19(9-15-10)8-13(20)16-12-6-11(14(2,3)4)17-18(12)5/h6-7,9H,8H2,1-5H3,(H,16,20).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide has a molecular weight of 275.36 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(4-methylimidazol-1-yl)acetamide is sourced from PubChem (CID 46990430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).