N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide

C18H21N5O2 — CID 56865398

IUPACN-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1ccnc1-c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H21N5O2/c1-13-16(17-20-10-12-22(17)11-9-19-14(2)24)18(25)23(21(13)3)15-7-5-4-6-8-15/h4-8,10,12H,9,11H2,1-3H3,(H,19,24)
InChIKeyYLBCIGWQMPYWAZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.48
Rot. Bonds5

About N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide

N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide (PubChem CID 56865398) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide
PubChem CID56865398
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1ccnc1-c1c(C)n(C)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H21N5O2/c1-13-16(17-20-10-12-22(17)11-9-19-14(2)24)18(25)23(21(13)3)15-7-5-4-6-8-15/h4-8,10,12H,9,11H2,1-3H3,(H,19,24)
InChIKeyYLBCIGWQMPYWAZ-UHFFFAOYSA-N
XLogP1.48
TPSA73.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide (CID 56865398) is N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide is CC(=O)NCCn1ccnc1-c1c(C)n(C)n(-c2ccccc2)c1=O.
What is the InChIKey of N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide?
The InChIKey is YLBCIGWQMPYWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13-16(17-20-10-12-22(17)11-9-19-14(2)24)18(25)23(21(13)3)15-7-5-4-6-8-15/h4-8,10,12H,9,11H2,1-3H3,(H,19,24).
What are the key properties of N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide?
N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide has a molecular weight of 339.40 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imidazol-1-yl]ethyl]acetamide is sourced from PubChem (CID 56865398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).