1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one

C13H20N4O — CID 116624745

IUPAC1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cc(CC)nn2C)c1=O
InChIInChI=1S/C13H20N4O/c1-4-6-16-7-8-17(13(16)18)10-12-9-11(5-2)14-15(12)3/h7-9H,4-6,10H2,1-3H3
InChIKeyBHCJFKALIYHSSN-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.40
Rot. Bonds5

About 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one

1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one (PubChem CID 116624745) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one
PubChem CID116624745
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(Cc2cc(CC)nn2C)c1=O
InChIInChI=1S/C13H20N4O/c1-4-6-16-7-8-17(13(16)18)10-12-9-11(5-2)14-15(12)3/h7-9H,4-6,10H2,1-3H3
InChIKeyBHCJFKALIYHSSN-UHFFFAOYSA-N
XLogP1.40
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one (CID 116624745) is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one is CCCn1ccn(Cc2cc(CC)nn2C)c1=O.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one?
The InChIKey is BHCJFKALIYHSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-4-6-16-7-8-17(13(16)18)10-12-9-11(5-2)14-15(12)3/h7-9H,4-6,10H2,1-3H3.
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one?
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-propylimidazol-2-one is sourced from PubChem (CID 116624745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).