1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea

C14H26N4O2 — CID 20964146

IUPAC1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCCOCCCNC(=O)NCc1c(C)nn(CC)c1C
InChIInChI=1S/C14H26N4O2/c1-5-18-12(4)13(11(3)17-18)10-16-14(19)15-8-7-9-20-6-2/h5-10H2,1-4H3,(H2,15,16,19)
InChIKeyLBKVWKGZOUWCIL-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.75
Rot. Bonds8

About 1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea

1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea (PubChem CID 20964146) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
PubChem CID20964146
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea
SMILESCCOCCCNC(=O)NCc1c(C)nn(CC)c1C
InChIInChI=1S/C14H26N4O2/c1-5-18-12(4)13(11(3)17-18)10-16-14(19)15-8-7-9-20-6-2/h5-10H2,1-4H3,(H2,15,16,19)
InChIKeyLBKVWKGZOUWCIL-UHFFFAOYSA-N
XLogP1.75
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea (CID 20964146) is 1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea is CCOCCCNC(=O)NCc1c(C)nn(CC)c1C.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea?
The InChIKey is LBKVWKGZOUWCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-18-12(4)13(11(3)17-18)10-16-14(19)15-8-7-9-20-6-2/h5-10H2,1-4H3,(H2,15,16,19).
What are the key properties of 1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea?
1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea has a molecular weight of 282.39 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 20964146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).