1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea

C18H24N4O2 — CID 71917901

IUPAC1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
SMILESCOCCC1(CNC(=O)Nc2ccc(-n3cccn3)cc2)CCC1
InChIInChI=1S/C18H24N4O2/c1-24-13-10-18(8-2-9-18)14-19-17(23)21-15-4-6-16(7-5-15)22-12-3-11-20-22/h3-7,11-12H,2,8-10,13-14H2,1H3,(H2,19,21,23)
InChIKeyGYQROQLFFBFXKO-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.20
Rot. Bonds7

About 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea

1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea (PubChem CID 71917901) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
PubChem CID71917901
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea
SMILESCOCCC1(CNC(=O)Nc2ccc(-n3cccn3)cc2)CCC1
InChIInChI=1S/C18H24N4O2/c1-24-13-10-18(8-2-9-18)14-19-17(23)21-15-4-6-16(7-5-15)22-12-3-11-20-22/h3-7,11-12H,2,8-10,13-14H2,1H3,(H2,19,21,23)
InChIKeyGYQROQLFFBFXKO-UHFFFAOYSA-N
XLogP3.20
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea?
The IUPAC name of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea (CID 71917901) is 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea?
The canonical SMILES for 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea is COCCC1(CNC(=O)Nc2ccc(-n3cccn3)cc2)CCC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea?
The InChIKey is GYQROQLFFBFXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-13-10-18(8-2-9-18)14-19-17(23)21-15-4-6-16(7-5-15)22-12-3-11-20-22/h3-7,11-12H,2,8-10,13-14H2,1H3,(H2,19,21,23).
What are the key properties of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea?
1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea has a molecular weight of 328.42 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-(4-pyrazol-1-ylphenyl)urea is sourced from PubChem (CID 71917901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).