1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea

C18H24N4O2 — CID 122159516

IUPAC1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
SMILESCOCCn1cc(CNC(=O)Nc2ccc(C3CCC3)cc2)cn1
InChIInChI=1S/C18H24N4O2/c1-24-10-9-22-13-14(12-20-22)11-19-18(23)21-17-7-5-16(6-8-17)15-3-2-4-15/h5-8,12-13,15H,2-4,9-11H2,1H3,(H2,19,21,23)
InChIKeyXUNIOPJTHVGYOG-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.12
Rot. Bonds7

About 1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea

1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea (PubChem CID 122159516) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
PubChem CID122159516
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea
SMILESCOCCn1cc(CNC(=O)Nc2ccc(C3CCC3)cc2)cn1
InChIInChI=1S/C18H24N4O2/c1-24-10-9-22-13-14(12-20-22)11-19-18(23)21-17-7-5-16(6-8-17)15-3-2-4-15/h5-8,12-13,15H,2-4,9-11H2,1H3,(H2,19,21,23)
InChIKeyXUNIOPJTHVGYOG-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea?
The IUPAC name of 1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea (CID 122159516) is 1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea?
The canonical SMILES for 1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea is COCCn1cc(CNC(=O)Nc2ccc(C3CCC3)cc2)cn1.
What is the InChIKey of 1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea?
The InChIKey is XUNIOPJTHVGYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-24-10-9-22-13-14(12-20-22)11-19-18(23)21-17-7-5-16(6-8-17)15-3-2-4-15/h5-8,12-13,15H,2-4,9-11H2,1H3,(H2,19,21,23).
What are the key properties of 1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea?
1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea has a molecular weight of 328.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylphenyl)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]urea is sourced from PubChem (CID 122159516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).