2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate

C9H12F3N3O2 — CID 103280996

IUPAC2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate
SMILESCCc1nn(C)cc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-3-6-7(4-15(2)14-6)13-8(16)17-5-9(10,11)12/h4H,3,5H2,1-2H3,(H,13,16)
InChIKeyFSEACCGTVWZNAB-UHFFFAOYSA-N
MW251.21 g/mol
LogP2.09
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate

2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate (PubChem CID 103280996) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate
PubChem CID103280996
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate
SMILESCCc1nn(C)cc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-3-6-7(4-15(2)14-6)13-8(16)17-5-9(10,11)12/h4H,3,5H2,1-2H3,(H,13,16)
InChIKeyFSEACCGTVWZNAB-UHFFFAOYSA-N
XLogP2.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate (CID 103280996) is 2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate is CCc1nn(C)cc1NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate?
The InChIKey is FSEACCGTVWZNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-3-6-7(4-15(2)14-6)13-8(16)17-5-9(10,11)12/h4H,3,5H2,1-2H3,(H,13,16).
What are the key properties of 2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate?
2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate has a molecular weight of 251.21 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(3-ethyl-1-methylpyrazol-4-yl)carbamate is sourced from PubChem (CID 103280996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).