1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea

C12H11F3N4O — CID 971096

IUPAC1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N4O/c1-19-6-5-10(18-19)17-11(20)16-9-4-2-3-8(7-9)12(13,14)15/h2-7H,1H3,(H2,16,17,18,20)
InChIKeyWMPOKPIMPVNCAO-UHFFFAOYSA-N
MW284.24 g/mol
LogP3.08
Rot. Bonds2

About 1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea

1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 971096) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID971096
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCn1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C12H11F3N4O/c1-19-6-5-10(18-19)17-11(20)16-9-4-2-3-8(7-9)12(13,14)15/h2-7H,1H3,(H2,16,17,18,20)
InChIKeyWMPOKPIMPVNCAO-UHFFFAOYSA-N
XLogP3.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]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-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea (CID 971096) is 1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea is Cn1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is WMPOKPIMPVNCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-19-6-5-10(18-19)17-11(20)16-9-4-2-3-8(7-9)12(13,14)15/h2-7H,1H3,(H2,16,17,18,20).
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 284.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 971096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).