2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate

C7H8F3N3O2 — CID 104621854

IUPAC2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
SMILESCc1cn[nH]c1NC(=O)OCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c1-4-2-11-13-5(4)12-6(14)15-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14)
InChIKeyWWEJAZJZNNZHHL-UHFFFAOYSA-N
MW223.15 g/mol
LogP1.83
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate

2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate (PubChem CID 104621854) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
PubChem CID104621854
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate
SMILESCc1cn[nH]c1NC(=O)OCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c1-4-2-11-13-5(4)12-6(14)15-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14)
InChIKeyWWEJAZJZNNZHHL-UHFFFAOYSA-N
XLogP1.83
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate (CID 104621854) is 2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate is Cc1cn[nH]c1NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate?
The InChIKey is WWEJAZJZNNZHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-4-2-11-13-5(4)12-6(14)15-3-7(8,9)10/h2H,3H2,1H3,(H2,11,12,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate?
2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate has a molecular weight of 223.15 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(4-methyl-1H-pyrazol-5-yl)carbamate is sourced from PubChem (CID 104621854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).