[2-(trifluoromethyl)pyrazol-3-yl]urea

C5H5F3N4O — CID 142785601

IUPAC[2-(trifluoromethyl)pyrazol-3-yl]urea
SMILESNC(=O)Nc1ccnn1C(F)(F)F
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)12-3(1-2-10-12)11-4(9)13/h1-2H,(H3,9,11,13)
InChIKeyNYFHEWZTLHCJED-UHFFFAOYSA-N
MW194.12 g/mol
LogP0.85
Rot. Bonds1

About [2-(trifluoromethyl)pyrazol-3-yl]urea

[2-(trifluoromethyl)pyrazol-3-yl]urea (PubChem CID 142785601) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is [2-(trifluoromethyl)pyrazol-3-yl]urea.

Molecular Properties

Compound Name[2-(trifluoromethyl)pyrazol-3-yl]urea
PubChem CID142785601
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name[2-(trifluoromethyl)pyrazol-3-yl]urea
SMILESNC(=O)Nc1ccnn1C(F)(F)F
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)12-3(1-2-10-12)11-4(9)13/h1-2H,(H3,9,11,13)
InChIKeyNYFHEWZTLHCJED-UHFFFAOYSA-N
XLogP0.85
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one
CID 135399047
1-Butyl-3-(1-methylpyrazol-3-yl)urea
CID 2807715
Pyrazolo[1,5-a][1,3,5]triazine-2,4-diol
CID 135590577
1-(2,2-difluoroethyl)-1H-pyrazol-5-amine
CID 25247695
7-Aminopyrazolo[1,5-A]Pyrimidin-5-Ol
CID 135670829
1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-amine hydrochloride
CID 131637690
7-(Trifluoromethyl)pyrazolo[1,5-A]pyrimidin-5(4H)-one
CID 137230937
N-1H-Pyrazol-5-ylurea
CID 22464195
Pyrazolo[5,1-d][1,2,3,5]tetrazin-4(3h)one
CID 136163654
N-tert-butyl-N'-(1-propyl-1H-pyrazol-3-yl)urea
CID 53017239
4-(2,2-difluoroethyl)-N-(2-methylpyrazol-3-yl)-1,4-diazepane-1-carboxamide
CID 86800099
1-[(2-Methylpropan-2-yl)oxy]-3-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]urea
CID 99800249

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)pyrazol-3-yl]urea?
The IUPAC name of [2-(trifluoromethyl)pyrazol-3-yl]urea (CID 142785601) is [2-(trifluoromethyl)pyrazol-3-yl]urea.
What is the SMILES notation for [2-(trifluoromethyl)pyrazol-3-yl]urea?
The canonical SMILES for [2-(trifluoromethyl)pyrazol-3-yl]urea is NC(=O)Nc1ccnn1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)pyrazol-3-yl]urea?
The InChIKey is NYFHEWZTLHCJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c6-5(7,8)12-3(1-2-10-12)11-4(9)13/h1-2H,(H3,9,11,13).
What are the key properties of [2-(trifluoromethyl)pyrazol-3-yl]urea?
[2-(trifluoromethyl)pyrazol-3-yl]urea has a molecular weight of 194.12 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)pyrazol-3-yl]urea is sourced from PubChem (CID 142785601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).