[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea

C6H7F3N4O — CID 90809414

IUPAC[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
SMILESCn1nc(C(F)(F)F)cc1NC(N)=O
InChIInChI=1S/C6H7F3N4O/c1-13-4(11-5(10)14)2-3(12-13)6(7,8)9/h2H,1H3,(H3,10,11,14)
InChIKeyGUSQKWUEXZICDJ-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.93
Rot. Bonds1

About [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea

[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea (PubChem CID 90809414) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
PubChem CID90809414
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
SMILESCn1nc(C(F)(F)F)cc1NC(N)=O
InChIInChI=1S/C6H7F3N4O/c1-13-4(11-5(10)14)2-3(12-13)6(7,8)9/h2H,1H3,(H3,10,11,14)
InChIKeyGUSQKWUEXZICDJ-UHFFFAOYSA-N
XLogP0.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dimethyl-1H-pyrazol-5-yl)-N'-methylurea
CID 2818773
2-[5-(ethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162676141
N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 574162
N-[1-(2-cyanoethyl)-3-methyl-1H-pyrazol-5-yl]acetamide
CID 45791474
1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623303
1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 22912798
1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-amine hydrochloride
CID 90482949
7-methyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135415381
7-(trifluoromethyl)-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 136244462
2-(5-Amino-3-methyl-1H-pyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4(3H)-one
CID 162645359
3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine
CID 45600694
1,3-bis(1,3-dimethyl-1H-pyrazol-5-yl)urea
CID 45792257

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea?
The IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea (CID 90809414) is [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea is Cn1nc(C(F)(F)F)cc1NC(N)=O.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea?
The InChIKey is GUSQKWUEXZICDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-13-4(11-5(10)14)2-3(12-13)6(7,8)9/h2H,1H3,(H3,10,11,14).
What are the key properties of [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea?
[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea has a molecular weight of 208.14 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(trifluoromethyl)pyrazol-5-yl]urea is sourced from PubChem (CID 90809414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).