[5-(trifluoromethyl)-1H-pyrazol-3-yl]urea

C5H5F3N4O — CID 68818176

IUPAC[5-(trifluoromethyl)-1H-pyrazol-3-yl]urea
SMILESNC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)2-1-3(12-11-2)10-4(9)13/h1H,(H4,9,10,11,12,13)
InChIKeyGECLLGNFLQRQID-UHFFFAOYSA-N
MW194.12 g/mol
LogP0.92
Rot. Bonds1

About [5-(trifluoromethyl)-1H-pyrazol-3-yl]urea

[5-(trifluoromethyl)-1H-pyrazol-3-yl]urea (PubChem CID 68818176) has the molecular formula C5H5F3N4O and a molecular weight of 194.12 g/mol. Its IUPAC name is [5-(trifluoromethyl)-1H-pyrazol-3-yl]urea.

Molecular Properties

Compound Name[5-(trifluoromethyl)-1H-pyrazol-3-yl]urea
PubChem CID68818176
Molecular FormulaC5H5F3N4O
Molecular Weight194.12 g/mol
Exact Mass194.04
IUPAC Name[5-(trifluoromethyl)-1H-pyrazol-3-yl]urea
SMILESNC(=O)Nc1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C5H5F3N4O/c6-5(7,8)2-1-3(12-11-2)10-4(9)13/h1H,(H4,9,10,11,12,13)
InChIKeyGECLLGNFLQRQID-UHFFFAOYSA-N
XLogP0.92
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(5-methyl-1H-pyrazol-3-yl)acetamide
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7-methyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
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N-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
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N-[3-(trifluoromethyl)-1H-pyrazol-5-yl]acetamide
CID 86717284
Ethyl-(5-trifluoromethyl-2H-pyrazol-3-yl)-amine
CID 56965660
[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid
CID 66876319
methyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid
CID 67496988
[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]urea
CID 90809414
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Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)-1H-pyrazol-3-yl]urea?
The IUPAC name of [5-(trifluoromethyl)-1H-pyrazol-3-yl]urea (CID 68818176) is [5-(trifluoromethyl)-1H-pyrazol-3-yl]urea.
What is the SMILES notation for [5-(trifluoromethyl)-1H-pyrazol-3-yl]urea?
The canonical SMILES for [5-(trifluoromethyl)-1H-pyrazol-3-yl]urea is NC(=O)Nc1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of [5-(trifluoromethyl)-1H-pyrazol-3-yl]urea?
The InChIKey is GECLLGNFLQRQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N4O/c6-5(7,8)2-1-3(12-11-2)10-4(9)13/h1H,(H4,9,10,11,12,13).
What are the key properties of [5-(trifluoromethyl)-1H-pyrazol-3-yl]urea?
[5-(trifluoromethyl)-1H-pyrazol-3-yl]urea has a molecular weight of 194.12 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)-1H-pyrazol-3-yl]urea is sourced from PubChem (CID 68818176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).