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

C6H8F2N4O2 — CID 172850344

IUPAC[3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea
SMILESCn1nc(OC(F)F)cc1NC(N)=O
InChIInChI=1S/C6H8F2N4O2/c1-12-3(10-6(9)13)2-4(11-12)14-5(7)8/h2,5H,1H3,(H3,9,10,13)
InChIKeyXZCNAVOSERTPBS-UHFFFAOYSA-N
MW206.15 g/mol
LogP0.51
Rot. Bonds3

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

[3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea (PubChem CID 172850344) has the molecular formula C6H8F2N4O2 and a molecular weight of 206.15 g/mol. Its IUPAC name is [3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea.

Molecular Properties

Compound Name[3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea
PubChem CID172850344
Molecular FormulaC6H8F2N4O2
Molecular Weight206.15 g/mol
Exact Mass206.06
IUPAC Name[3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea
SMILESCn1nc(OC(F)F)cc1NC(N)=O
InChIInChI=1S/C6H8F2N4O2/c1-12-3(10-6(9)13)2-4(11-12)14-5(7)8/h2,5H,1H3,(H3,9,10,13)
InChIKeyXZCNAVOSERTPBS-UHFFFAOYSA-N
XLogP0.51
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea?
The IUPAC name of [3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea (CID 172850344) is [3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea.
What is the SMILES notation for [3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea?
The canonical SMILES for [3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea is Cn1nc(OC(F)F)cc1NC(N)=O.
What is the InChIKey of [3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea?
The InChIKey is XZCNAVOSERTPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O2/c1-12-3(10-6(9)13)2-4(11-12)14-5(7)8/h2,5H,1H3,(H3,9,10,13).
What are the key properties of [3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea?
[3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea has a molecular weight of 206.15 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)-1-methylpyrazol-5-yl]urea is sourced from PubChem (CID 172850344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).