[1-(difluoromethyl)-3-methylpyrazol-4-yl]urea

C6H8F2N4O — CID 166791939

IUPAC[1-(difluoromethyl)-3-methylpyrazol-4-yl]urea
SMILESCc1nn(C(F)F)cc1NC(N)=O
InChIInChI=1S/C6H8F2N4O/c1-3-4(10-6(9)13)2-12(11-3)5(7)8/h2,5H,1H3,(H3,9,10,13)
InChIKeyWHNRKQZZVBRAQW-UHFFFAOYSA-N
MW190.15 g/mol
LogP1.08
Rot. Bonds2

About [1-(difluoromethyl)-3-methylpyrazol-4-yl]urea

[1-(difluoromethyl)-3-methylpyrazol-4-yl]urea (PubChem CID 166791939) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is [1-(difluoromethyl)-3-methylpyrazol-4-yl]urea.

Molecular Properties

Compound Name[1-(difluoromethyl)-3-methylpyrazol-4-yl]urea
PubChem CID166791939
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name[1-(difluoromethyl)-3-methylpyrazol-4-yl]urea
SMILESCc1nn(C(F)F)cc1NC(N)=O
InChIInChI=1S/C6H8F2N4O/c1-3-4(10-6(9)13)2-12(11-3)5(7)8/h2,5H,1H3,(H3,9,10,13)
InChIKeyWHNRKQZZVBRAQW-UHFFFAOYSA-N
XLogP1.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)-3-methylpyrazol-4-yl]urea?
The IUPAC name of [1-(difluoromethyl)-3-methylpyrazol-4-yl]urea (CID 166791939) is [1-(difluoromethyl)-3-methylpyrazol-4-yl]urea.
What is the SMILES notation for [1-(difluoromethyl)-3-methylpyrazol-4-yl]urea?
The canonical SMILES for [1-(difluoromethyl)-3-methylpyrazol-4-yl]urea is Cc1nn(C(F)F)cc1NC(N)=O.
What is the InChIKey of [1-(difluoromethyl)-3-methylpyrazol-4-yl]urea?
The InChIKey is WHNRKQZZVBRAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c1-3-4(10-6(9)13)2-12(11-3)5(7)8/h2,5H,1H3,(H3,9,10,13).
What are the key properties of [1-(difluoromethyl)-3-methylpyrazol-4-yl]urea?
[1-(difluoromethyl)-3-methylpyrazol-4-yl]urea has a molecular weight of 190.15 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)-3-methylpyrazol-4-yl]urea is sourced from PubChem (CID 166791939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).