N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide

C12H17N5O — CID 75433248

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide
SMILESCCc1nccn1CC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C12H17N5O/c1-4-10-13-5-6-17(10)8-12(18)14-11-7-9(2)15-16(11)3/h5-7H,4,8H2,1-3H3,(H,14,18)
InChIKeyDVBXIGNGXGHCAT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.13
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide (PubChem CID 75433248) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide
PubChem CID75433248
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide
SMILESCCc1nccn1CC(=O)Nc1cc(C)nn1C
InChIInChI=1S/C12H17N5O/c1-4-10-13-5-6-17(10)8-12(18)14-11-7-9(2)15-16(11)3/h5-7H,4,8H2,1-3H3,(H,14,18)
InChIKeyDVBXIGNGXGHCAT-UHFFFAOYSA-N
XLogP1.13
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide (CID 75433248) is N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide is CCc1nccn1CC(=O)Nc1cc(C)nn1C.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide?
The InChIKey is DVBXIGNGXGHCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-4-10-13-5-6-17(10)8-12(18)14-11-7-9(2)15-16(11)3/h5-7H,4,8H2,1-3H3,(H,14,18).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide has a molecular weight of 247.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(2-ethylimidazol-1-yl)acetamide is sourced from PubChem (CID 75433248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).