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

C7H9F3N4O — CID 118197384

IUPAC1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
SMILESCNC(=O)Nc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C7H9F3N4O/c1-11-6(15)12-5-3-4(7(8,9)10)14(2)13-5/h3H,1-2H3,(H2,11,12,13,15)
InChIKeyQQNSIJOUAXJUMF-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.19
Rot. Bonds1

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

1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea (PubChem CID 118197384) has the molecular formula C7H9F3N4O and a molecular weight of 222.17 g/mol. Its IUPAC name is 1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
PubChem CID118197384
Molecular FormulaC7H9F3N4O
Molecular Weight222.17 g/mol
Exact Mass222.07
IUPAC Name1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea
SMILESCNC(=O)Nc1cc(C(F)(F)F)n(C)n1
InChIInChI=1S/C7H9F3N4O/c1-11-6(15)12-5-3-4(7(8,9)10)14(2)13-5/h3H,1-2H3,(H2,11,12,13,15)
InChIKeyQQNSIJOUAXJUMF-UHFFFAOYSA-N
XLogP1.19
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623303
7-methyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135415381
N-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-(2-oxopiperazin-1-yl)acetamide
CID 90256814
1,3-bis(1,3-dimethyl-1H-pyrazol-5-yl)urea
CID 45792257
2,2,2-trifluoroethyl N-(1,5-dimethyl-1H-pyrazol-3-yl)carbamate
CID 129912647
4-Amino-7-Methylpyrazolo[1,5-A][1,3,5]triazin-2(1h)-One
CID 135475085
7-Methylpyrazolo[1,5-A][1,3,5]triazin-4(3H)-one
CID 135443548
N,1,5-Trimethyl-1H-pyrazol-3-amine
CID 46863933
1-(1-Cyclopropylethyl)-3-(2,5-dimethylpyrazol-3-yl)urea
CID 45821194

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea?
The IUPAC name of 1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea (CID 118197384) is 1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea.
What is the SMILES notation for 1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea?
The canonical SMILES for 1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea is CNC(=O)Nc1cc(C(F)(F)F)n(C)n1.
What is the InChIKey of 1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea?
The InChIKey is QQNSIJOUAXJUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O/c1-11-6(15)12-5-3-4(7(8,9)10)14(2)13-5/h3H,1-2H3,(H2,11,12,13,15).
What are the key properties of 1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea?
1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea has a molecular weight of 222.17 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 118197384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).