1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea

C14H19N5O2 — CID 126852886

IUPAC1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea
SMILESCOCCNC(=O)NCCn1cc(-c2ccncc2)cn1
InChIInChI=1S/C14H19N5O2/c1-21-9-7-17-14(20)16-6-8-19-11-13(10-18-19)12-2-4-15-5-3-12/h2-5,10-11H,6-9H2,1H3,(H2,16,17,20)
InChIKeyFNDYGHHBHXGYLG-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.89
Rot. Bonds7

About 1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea

1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea (PubChem CID 126852886) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea
PubChem CID126852886
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea
SMILESCOCCNC(=O)NCCn1cc(-c2ccncc2)cn1
InChIInChI=1S/C14H19N5O2/c1-21-9-7-17-14(20)16-6-8-19-11-13(10-18-19)12-2-4-15-5-3-12/h2-5,10-11H,6-9H2,1H3,(H2,16,17,20)
InChIKeyFNDYGHHBHXGYLG-UHFFFAOYSA-N
XLogP0.89
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea (CID 126852886) is 1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea is COCCNC(=O)NCCn1cc(-c2ccncc2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea?
The InChIKey is FNDYGHHBHXGYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-21-9-7-17-14(20)16-6-8-19-11-13(10-18-19)12-2-4-15-5-3-12/h2-5,10-11H,6-9H2,1H3,(H2,16,17,20).
What are the key properties of 1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea?
1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea has a molecular weight of 289.34 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[2-(4-pyridin-4-ylpyrazol-1-yl)ethyl]urea is sourced from PubChem (CID 126852886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).