[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid

C6H7F3N4O2 — CID 68786438

IUPAC[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(C(F)(F)F)nn1N
InChIInChI=1S/C6H7F3N4O2/c1-12(5(14)15)4-2-3(6(7,8)9)11-13(4)10/h2H,10H2,1H3,(H,14,15)
InChIKeyXFUOHNKPTTZZBT-UHFFFAOYSA-N
MW224.14 g/mol
LogP0.73
Rot. Bonds1

About [1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid

[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid (PubChem CID 68786438) has the molecular formula C6H7F3N4O2 and a molecular weight of 224.14 g/mol. Its IUPAC name is [1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid
PubChem CID68786438
Molecular FormulaC6H7F3N4O2
Molecular Weight224.14 g/mol
Exact Mass224.05
IUPAC Name[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid
SMILESCN(C(=O)O)c1cc(C(F)(F)F)nn1N
InChIInChI=1S/C6H7F3N4O2/c1-12(5(14)15)4-2-3(6(7,8)9)11-13(4)10/h2H,10H2,1H3,(H,14,15)
InChIKeyXFUOHNKPTTZZBT-UHFFFAOYSA-N
XLogP0.73
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid?
The IUPAC name of [1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid (CID 68786438) is [1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid.
What is the SMILES notation for [1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid?
The canonical SMILES for [1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid is CN(C(=O)O)c1cc(C(F)(F)F)nn1N.
What is the InChIKey of [1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid?
The InChIKey is XFUOHNKPTTZZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4O2/c1-12(5(14)15)4-2-3(6(7,8)9)11-13(4)10/h2H,10H2,1H3,(H,14,15).
What are the key properties of [1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid?
[1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid has a molecular weight of 224.14 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid is sourced from PubChem (CID 68786438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).