trifluoromethyl N-(1H-pyrazol-5-yl)carbamate

C5H4F3N3O2 — CID 143865280

IUPACtrifluoromethyl N-(1H-pyrazol-5-yl)carbamate
SMILESO=C(Nc1ccn[nH]1)OC(F)(F)F
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)13-4(12)10-3-1-2-9-11-3/h1-2H,(H2,9,10,11,12)
InChIKeyFKFKAONXBGLJJJ-UHFFFAOYSA-N
MW195.10 g/mol
LogP1.48
Rot. Bonds1

About trifluoromethyl N-(1H-pyrazol-5-yl)carbamate

trifluoromethyl N-(1H-pyrazol-5-yl)carbamate (PubChem CID 143865280) has the molecular formula C5H4F3N3O2 and a molecular weight of 195.10 g/mol. Its IUPAC name is trifluoromethyl N-(1H-pyrazol-5-yl)carbamate.

Molecular Properties

Compound Nametrifluoromethyl N-(1H-pyrazol-5-yl)carbamate
PubChem CID143865280
Molecular FormulaC5H4F3N3O2
Molecular Weight195.10 g/mol
Exact Mass195.03
IUPAC Nametrifluoromethyl N-(1H-pyrazol-5-yl)carbamate
SMILESO=C(Nc1ccn[nH]1)OC(F)(F)F
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)13-4(12)10-3-1-2-9-11-3/h1-2H,(H2,9,10,11,12)
InChIKeyFKFKAONXBGLJJJ-UHFFFAOYSA-N
XLogP1.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trifluoromethyl N-(1H-pyrazol-5-yl)carbamate?
The IUPAC name of trifluoromethyl N-(1H-pyrazol-5-yl)carbamate (CID 143865280) is trifluoromethyl N-(1H-pyrazol-5-yl)carbamate.
What is the SMILES notation for trifluoromethyl N-(1H-pyrazol-5-yl)carbamate?
The canonical SMILES for trifluoromethyl N-(1H-pyrazol-5-yl)carbamate is O=C(Nc1ccn[nH]1)OC(F)(F)F.
What is the InChIKey of trifluoromethyl N-(1H-pyrazol-5-yl)carbamate?
The InChIKey is FKFKAONXBGLJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2/c6-5(7,8)13-4(12)10-3-1-2-9-11-3/h1-2H,(H2,9,10,11,12).
What are the key properties of trifluoromethyl N-(1H-pyrazol-5-yl)carbamate?
trifluoromethyl N-(1H-pyrazol-5-yl)carbamate has a molecular weight of 195.10 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethyl N-(1H-pyrazol-5-yl)carbamate is sourced from PubChem (CID 143865280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).