N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide

C16H25N5O — CID 46989626

IUPACN-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide
SMILESCCCc1nccn1CC(=O)Nc1ccnn1C(C)CCC
InChIInChI=1S/C16H25N5O/c1-4-6-13(3)21-15(8-9-18-21)19-16(22)12-20-11-10-17-14(20)7-5-2/h8-11,13H,4-7,12H2,1-3H3,(H,19,22)
InChIKeyXMJHNKGADGSGEH-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.03
Rot. Bonds8

About N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide

N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide (PubChem CID 46989626) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide
PubChem CID46989626
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide
SMILESCCCc1nccn1CC(=O)Nc1ccnn1C(C)CCC
InChIInChI=1S/C16H25N5O/c1-4-6-13(3)21-15(8-9-18-21)19-16(22)12-20-11-10-17-14(20)7-5-2/h8-11,13H,4-7,12H2,1-3H3,(H,19,22)
InChIKeyXMJHNKGADGSGEH-UHFFFAOYSA-N
XLogP3.03
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide?
The IUPAC name of N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide (CID 46989626) is N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide is CCCc1nccn1CC(=O)Nc1ccnn1C(C)CCC.
What is the InChIKey of N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide?
The InChIKey is XMJHNKGADGSGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-4-6-13(3)21-15(8-9-18-21)19-16(22)12-20-11-10-17-14(20)7-5-2/h8-11,13H,4-7,12H2,1-3H3,(H,19,22).
What are the key properties of N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide?
N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pentan-2-ylpyrazol-3-yl)-2-(2-propylimidazol-1-yl)acetamide is sourced from PubChem (CID 46989626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).