[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea

C6H7F3N4O — CID 174498363

IUPAC[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
SMILESCn1cc(NC(N)=O)c(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c1-13-2-3(11-5(10)14)4(12-13)6(7,8)9/h2H,1H3,(H3,10,11,14)
InChIKeyBUKUXYVQRPCUKT-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.93
Rot. Bonds1

About [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea

[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea (PubChem CID 174498363) has the molecular formula C6H7F3N4O and a molecular weight of 208.14 g/mol. Its IUPAC name is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea.

Molecular Properties

Compound Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
PubChem CID174498363
Molecular FormulaC6H7F3N4O
Molecular Weight208.14 g/mol
Exact Mass208.06
IUPAC Name[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
SMILESCn1cc(NC(N)=O)c(C(F)(F)F)n1
InChIInChI=1S/C6H7F3N4O/c1-13-2-3(11-5(10)14)4(12-13)6(7,8)9/h2H,1H3,(H3,10,11,14)
InChIKeyBUKUXYVQRPCUKT-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

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea?
The IUPAC name of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea (CID 174498363) is [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea.
What is the SMILES notation for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea?
The canonical SMILES for [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea is Cn1cc(NC(N)=O)c(C(F)(F)F)n1.
What is the InChIKey of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea?
The InChIKey is BUKUXYVQRPCUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O/c1-13-2-3(11-5(10)14)4(12-13)6(7,8)9/h2H,1H3,(H3,10,11,14).
What are the key properties of [1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea?
[1-methyl-3-(trifluoromethyl)pyrazol-4-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-4-yl]urea is sourced from PubChem (CID 174498363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).