1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea

C13H20N6O — CID 75455856

IUPAC1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1nccc1NC(=O)NCCc1cncn1C
InChIInChI=1S/C13H20N6O/c1-10(2)19-12(5-7-16-19)17-13(20)15-6-4-11-8-14-9-18(11)3/h5,7-10H,4,6H2,1-3H3,(H2,15,17,20)
InChIKeyZQSLKUTXJWOHJR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.56
Rot. Bonds5

About 1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea

1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea (PubChem CID 75455856) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
PubChem CID75455856
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea
SMILESCC(C)n1nccc1NC(=O)NCCc1cncn1C
InChIInChI=1S/C13H20N6O/c1-10(2)19-12(5-7-16-19)17-13(20)15-6-4-11-8-14-9-18(11)3/h5,7-10H,4,6H2,1-3H3,(H2,15,17,20)
InChIKeyZQSLKUTXJWOHJR-UHFFFAOYSA-N
XLogP1.56
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea (CID 75455856) is 1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea is CC(C)n1nccc1NC(=O)NCCc1cncn1C.
What is the InChIKey of 1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
The InChIKey is ZQSLKUTXJWOHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-10(2)19-12(5-7-16-19)17-13(20)15-6-4-11-8-14-9-18(11)3/h5,7-10H,4,6H2,1-3H3,(H2,15,17,20).
What are the key properties of 1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea?
1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea has a molecular weight of 276.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylimidazol-4-yl)ethyl]-3-(2-propan-2-ylpyrazol-3-yl)urea is sourced from PubChem (CID 75455856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).