1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea

C11H18N4O — CID 91661487

IUPAC1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
SMILESC=C(C)CNC(=O)NCCc1cnn(C)c1
InChIInChI=1S/C11H18N4O/c1-9(2)6-13-11(16)12-5-4-10-7-14-15(3)8-10/h7-8H,1,4-6H2,2-3H3,(H2,12,13,16)
InChIKeyYBEZGKQDYZCFLQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds5

About 1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea

1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea (PubChem CID 91661487) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
PubChem CID91661487
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
SMILESC=C(C)CNC(=O)NCCc1cnn(C)c1
InChIInChI=1S/C11H18N4O/c1-9(2)6-13-11(16)12-5-4-10-7-14-15(3)8-10/h7-8H,1,4-6H2,2-3H3,(H2,12,13,16)
InChIKeyYBEZGKQDYZCFLQ-UHFFFAOYSA-N
XLogP0.84
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]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-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea (CID 91661487) is 1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea is C=C(C)CNC(=O)NCCc1cnn(C)c1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
The InChIKey is YBEZGKQDYZCFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(2)6-13-11(16)12-5-4-10-7-14-15(3)8-10/h7-8H,1,4-6H2,2-3H3,(H2,12,13,16).
What are the key properties of 1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea?
1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea has a molecular weight of 222.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-3-[2-(1-methylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 91661487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).