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

C14H26N4O2 — CID 53086234

IUPAC1-(3-ethoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCCOCCCNC(=O)NCCc1c(C)nn(C)c1C
InChIInChI=1S/C14H26N4O2/c1-5-20-10-6-8-15-14(19)16-9-7-13-11(2)17-18(4)12(13)3/h5-10H2,1-4H3,(H2,15,16,19)
InChIKeyPQNHYYBXCFNTPT-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.31
Rot. Bonds8

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

1-(3-ethoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 53086234) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID53086234
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-(3-ethoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCCOCCCNC(=O)NCCc1c(C)nn(C)c1C
InChIInChI=1S/C14H26N4O2/c1-5-20-10-6-8-15-14(19)16-9-7-13-11(2)17-18(4)12(13)3/h5-10H2,1-4H3,(H2,15,16,19)
InChIKeyPQNHYYBXCFNTPT-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
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-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 53086234) is 1-(3-ethoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is CCOCCCNC(=O)NCCc1c(C)nn(C)c1C.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is PQNHYYBXCFNTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-20-10-6-8-15-14(19)16-9-7-13-11(2)17-18(4)12(13)3/h5-10H2,1-4H3,(H2,15,16,19).
What are the key properties of 1-(3-ethoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-(3-ethoxypropyl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 282.39 g/mol, XLogP of 1.31, 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-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 53086234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).