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

C12H20N4O3 — CID 71810282

IUPAC1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESCOCCNC(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C12H20N4O3/c1-18-7-4-13-12(17)15-10-8-14-16(9-10)11-2-5-19-6-3-11/h8-9,11H,2-7H2,1H3,(H2,13,15,17)
InChIKeyPGRDOMBCIIXZGG-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.00
Rot. Bonds5

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

1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (PubChem CID 71810282) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
PubChem CID71810282
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
SMILESCOCCNC(=O)Nc1cnn(C2CCOCC2)c1
InChIInChI=1S/C12H20N4O3/c1-18-7-4-13-12(17)15-10-8-14-16(9-10)11-2-5-19-6-3-11/h8-9,11H,2-7H2,1H3,(H2,13,15,17)
InChIKeyPGRDOMBCIIXZGG-UHFFFAOYSA-N
XLogP1.00
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.00
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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Related Compounds

1-benzyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597826
3,5-dimethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 71810179
3,4,5-triethoxy-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597650
1-cyclopentyl-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597838
N-[1-[(3S,5S)-5-(methoxymethyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]acetamide
CID 146118992
[1-(oxan-4-yl)pyrazol-4-yl]thiourea
CID 145069012
1-(4-chlorophenyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea
CID 90597812
2,2,2-trifluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]acetamide
CID 90597743
N-[1-(oxan-4-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 71810169
4-bromo-N-[1-(oxan-4-yl)pyrazol-4-yl]benzamide
CID 90597657
1-methylsulfonyl-N-[1-(oxan-4-yl)pyrazol-4-yl]piperidine-4-carboxamide
CID 90597726
(E)-4-[[1-(oxan-4-yl)pyrazol-4-yl]amino]-4-oxobut-2-enoic acid
CID 122172610

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea (CID 71810282) is 1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is COCCNC(=O)Nc1cnn(C2CCOCC2)c1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
The InChIKey is PGRDOMBCIIXZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-18-7-4-13-12(17)15-10-8-14-16(9-10)11-2-5-19-6-3-11/h8-9,11H,2-7H2,1H3,(H2,13,15,17).
What are the key properties of 1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea?
1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea has a molecular weight of 268.32 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[1-(oxan-4-yl)pyrazol-4-yl]urea is sourced from PubChem (CID 71810282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).