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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Related Compounds

CID 135363351
CID 135363351
CID 141369905
CID 141369905
CID 142460300
CID 142460300
CID 154320449
CID 154320449
CID 163930291
CID 163930291
CID 170943610
CID 170943610
CID 174870762
CID 174870762
CID 176916976
CID 176916976
CID 47400938
CID 47400938
CID 103209305
CID 103209305
CID 103514076
CID 103514076
CID 103733843
CID 103733843

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).