4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole

C15H22N4 — CID 70728746

IUPAC4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole
SMILESCCn1nc(C)c(CCn2ccnc2C2CC2)c1C
InChIInChI=1S/C15H22N4/c1-4-19-12(3)14(11(2)17-19)7-9-18-10-8-16-15(18)13-5-6-13/h8,10,13H,4-7,9H2,1-3H3
InChIKeyXBJYFOVYFUMYOO-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.84
Rot. Bonds5

About 4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole

4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole (PubChem CID 70728746) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole
PubChem CID70728746
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole
SMILESCCn1nc(C)c(CCn2ccnc2C2CC2)c1C
InChIInChI=1S/C15H22N4/c1-4-19-12(3)14(11(2)17-19)7-9-18-10-8-16-15(18)13-5-6-13/h8,10,13H,4-7,9H2,1-3H3
InChIKeyXBJYFOVYFUMYOO-UHFFFAOYSA-N
XLogP2.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole?
The IUPAC name of 4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole (CID 70728746) is 4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole.
What is the SMILES notation for 4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole?
The canonical SMILES for 4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole is CCn1nc(C)c(CCn2ccnc2C2CC2)c1C.
What is the InChIKey of 4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole?
The InChIKey is XBJYFOVYFUMYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-4-19-12(3)14(11(2)17-19)7-9-18-10-8-16-15(18)13-5-6-13/h8,10,13H,4-7,9H2,1-3H3.
What are the key properties of 4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole?
4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole has a molecular weight of 258.37 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-cyclopropylimidazol-1-yl)ethyl]-1-ethyl-3,5-dimethylpyrazole is sourced from PubChem (CID 70728746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).