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

C14H26N4O2 — CID 20964024

IUPAC1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea
SMILESCCn1nc(C)c(CCNC(=O)NCCCOC)c1C
InChIInChI=1S/C14H26N4O2/c1-5-18-12(3)13(11(2)17-18)7-9-16-14(19)15-8-6-10-20-4/h5-10H2,1-4H3,(H2,15,16,19)
InChIKeyGCJRJUMDQBZKJX-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.40
Rot. Bonds8

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

1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea (PubChem CID 20964024) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea.

Molecular Properties

Compound Name1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea
PubChem CID20964024
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea
SMILESCCn1nc(C)c(CCNC(=O)NCCCOC)c1C
InChIInChI=1S/C14H26N4O2/c1-5-18-12(3)13(11(2)17-18)7-9-16-14(19)15-8-6-10-20-4/h5-10H2,1-4H3,(H2,15,16,19)
InChIKeyGCJRJUMDQBZKJX-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea?
The IUPAC name of 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea (CID 20964024) is 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea.
What is the SMILES notation for 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea?
The canonical SMILES for 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea is CCn1nc(C)c(CCNC(=O)NCCCOC)c1C.
What is the InChIKey of 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea?
The InChIKey is GCJRJUMDQBZKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-18-12(3)13(11(2)17-18)7-9-16-14(19)15-8-6-10-20-4/h5-10H2,1-4H3,(H2,15,16,19).
What are the key properties of 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea?
1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea has a molecular weight of 282.39 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3-(3-methoxypropyl)urea is sourced from PubChem (CID 20964024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).