N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide

C16H25N5O — CID 46983158

IUPACN-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)Nc1ccnn1C(C)C(C)C
InChIInChI=1S/C16H25N5O/c1-11(2)13(5)21-14(6-7-18-21)19-15(22)10-20-9-8-17-16(20)12(3)4/h6-9,11-13H,10H2,1-5H3,(H,19,22)
InChIKeyYENGMHLWWFJVRI-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide

N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide (PubChem CID 46983158) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
PubChem CID46983158
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
SMILESCC(C)c1nccn1CC(=O)Nc1ccnn1C(C)C(C)C
InChIInChI=1S/C16H25N5O/c1-11(2)13(5)21-14(6-7-18-21)19-15(22)10-20-9-8-17-16(20)12(3)4/h6-9,11-13H,10H2,1-5H3,(H,19,22)
InChIKeyYENGMHLWWFJVRI-UHFFFAOYSA-N
XLogP3.06
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide (CID 46983158) is N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide is CC(C)c1nccn1CC(=O)Nc1ccnn1C(C)C(C)C.
What is the InChIKey of N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
The InChIKey is YENGMHLWWFJVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-11(2)13(5)21-14(6-7-18-21)19-15(22)10-20-9-8-17-16(20)12(3)4/h6-9,11-13H,10H2,1-5H3,(H,19,22).
What are the key properties of N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide?
N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide is sourced from PubChem (CID 46983158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).