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

C13H24N4O2 — CID 20964086

IUPAC1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCCOCCCNC(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H24N4O2/c1-5-19-8-6-7-14-13(18)15-9-12-10(2)16-17(4)11(12)3/h5-9H2,1-4H3,(H2,14,15,18)
InChIKeyUENOTIACXUDLRU-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.26
Rot. Bonds7

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

1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (PubChem CID 20964086) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
PubChem CID20964086
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
SMILESCCOCCCNC(=O)NCc1c(C)nn(C)c1C
InChIInChI=1S/C13H24N4O2/c1-5-19-8-6-7-14-13(18)15-9-12-10(2)16-17(4)11(12)3/h5-9H2,1-4H3,(H2,14,15,18)
InChIKeyUENOTIACXUDLRU-UHFFFAOYSA-N
XLogP1.26
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.26
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-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea (CID 20964086) is 1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is CCOCCCNC(=O)NCc1c(C)nn(C)c1C.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
The InChIKey is UENOTIACXUDLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-19-8-6-7-14-13(18)15-9-12-10(2)16-17(4)11(12)3/h5-9H2,1-4H3,(H2,14,15,18).
What are the key properties of 1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea?
1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea has a molecular weight of 268.36 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 20964086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).