1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea

C15H28N4O2 — CID 20964025

IUPAC1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea
SMILESCCOCCCNC(=O)NCCc1c(C)nn(CC)c1C
InChIInChI=1S/C15H28N4O2/c1-5-19-13(4)14(12(3)18-19)8-10-17-15(20)16-9-7-11-21-6-2/h5-11H2,1-4H3,(H2,16,17,20)
InChIKeyFLZMJJWRMJKFGP-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.79
Rot. Bonds9

About 1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea

1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea (PubChem CID 20964025) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea
PubChem CID20964025
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea
SMILESCCOCCCNC(=O)NCCc1c(C)nn(CC)c1C
InChIInChI=1S/C15H28N4O2/c1-5-19-13(4)14(12(3)18-19)8-10-17-15(20)16-9-7-11-21-6-2/h5-11H2,1-4H3,(H2,16,17,20)
InChIKeyFLZMJJWRMJKFGP-UHFFFAOYSA-N
XLogP1.79
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.79
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-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea (CID 20964025) is 1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea is CCOCCCNC(=O)NCCc1c(C)nn(CC)c1C.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is FLZMJJWRMJKFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-5-19-13(4)14(12(3)18-19)8-10-17-15(20)16-9-7-11-21-6-2/h5-11H2,1-4H3,(H2,16,17,20).
What are the key properties of 1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea?
1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 296.42 g/mol, XLogP of 1.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 20964025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).