2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate

C8H10F3N3O2 — CID 43543991

IUPAC2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate
SMILESCCn1cc(NC(=O)OCC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O2/c1-2-14-4-6(3-12-14)13-7(15)16-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyDOMQBKMQXJNWPE-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.01
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate

2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate (PubChem CID 43543991) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate
PubChem CID43543991
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate
SMILESCCn1cc(NC(=O)OCC(F)(F)F)cn1
InChIInChI=1S/C8H10F3N3O2/c1-2-14-4-6(3-12-14)13-7(15)16-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,13,15)
InChIKeyDOMQBKMQXJNWPE-UHFFFAOYSA-N
XLogP2.01
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.01
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-(1-ethylpyrazol-4-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate (CID 43543991) is 2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate is CCn1cc(NC(=O)OCC(F)(F)F)cn1.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate?
The InChIKey is DOMQBKMQXJNWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-2-14-4-6(3-12-14)13-7(15)16-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,13,15).
What are the key properties of 2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate?
2,2,2-trifluoroethyl N-(1-ethylpyrazol-4-yl)carbamate has a molecular weight of 237.18 g/mol, XLogP of 2.01, 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-(1-ethylpyrazol-4-yl)carbamate is sourced from PubChem (CID 43543991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).