[3-(difluoromethyl)-1-methylpyrazol-5-yl]urea

C6H8F2N4O — CID 162471994

IUPAC[3-(difluoromethyl)-1-methylpyrazol-5-yl]urea
SMILESCn1nc(C(F)F)cc1NC(N)=O
InChIInChI=1S/C6H8F2N4O/c1-12-4(10-6(9)13)2-3(11-12)5(7)8/h2,5H,1H3,(H3,9,10,13)
InChIKeyZGIJOPHPZMUDCR-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.85
Rot. Bonds2

About [3-(difluoromethyl)-1-methylpyrazol-5-yl]urea

[3-(difluoromethyl)-1-methylpyrazol-5-yl]urea (PubChem CID 162471994) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is [3-(difluoromethyl)-1-methylpyrazol-5-yl]urea.

Molecular Properties

Compound Name[3-(difluoromethyl)-1-methylpyrazol-5-yl]urea
PubChem CID162471994
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name[3-(difluoromethyl)-1-methylpyrazol-5-yl]urea
SMILESCn1nc(C(F)F)cc1NC(N)=O
InChIInChI=1S/C6H8F2N4O/c1-12-4(10-6(9)13)2-3(11-12)5(7)8/h2,5H,1H3,(H3,9,10,13)
InChIKeyZGIJOPHPZMUDCR-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-5-yl]urea?
The IUPAC name of [3-(difluoromethyl)-1-methylpyrazol-5-yl]urea (CID 162471994) is [3-(difluoromethyl)-1-methylpyrazol-5-yl]urea.
What is the SMILES notation for [3-(difluoromethyl)-1-methylpyrazol-5-yl]urea?
The canonical SMILES for [3-(difluoromethyl)-1-methylpyrazol-5-yl]urea is Cn1nc(C(F)F)cc1NC(N)=O.
What is the InChIKey of [3-(difluoromethyl)-1-methylpyrazol-5-yl]urea?
The InChIKey is ZGIJOPHPZMUDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c1-12-4(10-6(9)13)2-3(11-12)5(7)8/h2,5H,1H3,(H3,9,10,13).
What are the key properties of [3-(difluoromethyl)-1-methylpyrazol-5-yl]urea?
[3-(difluoromethyl)-1-methylpyrazol-5-yl]urea has a molecular weight of 190.15 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-1-methylpyrazol-5-yl]urea is sourced from PubChem (CID 162471994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).