1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea

C8H10ClF3N4O2 — CID 154766496

IUPAC1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea
SMILESCCONC(=O)Nc1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C8H10ClF3N4O2/c1-3-18-15-7(17)13-4-5(8(10,11)12)14-16(2)6(4)9/h3H2,1-2H3,(H2,13,15,17)
InChIKeyLUXWTEPCJJMQCZ-UHFFFAOYSA-N
MW286.64 g/mol
LogP2.17
Rot. Bonds3

About 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea

1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea (PubChem CID 154766496) has the molecular formula C8H10ClF3N4O2 and a molecular weight of 286.64 g/mol. Its IUPAC name is 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea.

Molecular Properties

Compound Name1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea
PubChem CID154766496
Molecular FormulaC8H10ClF3N4O2
Molecular Weight286.64 g/mol
Exact Mass286.04
IUPAC Name1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea
SMILESCCONC(=O)Nc1c(C(F)(F)F)nn(C)c1Cl
InChIInChI=1S/C8H10ClF3N4O2/c1-3-18-15-7(17)13-4-5(8(10,11)12)14-16(2)6(4)9/h3H2,1-2H3,(H2,13,15,17)
InChIKeyLUXWTEPCJJMQCZ-UHFFFAOYSA-N
XLogP2.17
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.64
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea 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-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea?
The IUPAC name of 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea (CID 154766496) is 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea.
What is the SMILES notation for 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea?
The canonical SMILES for 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea is CCONC(=O)Nc1c(C(F)(F)F)nn(C)c1Cl.
What is the InChIKey of 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea?
The InChIKey is LUXWTEPCJJMQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3N4O2/c1-3-18-15-7(17)13-4-5(8(10,11)12)14-16(2)6(4)9/h3H2,1-2H3,(H2,13,15,17).
What are the key properties of 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea?
1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea has a molecular weight of 286.64 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-3-ethoxyurea is sourced from PubChem (CID 154766496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).