2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate

C8H10F3N3O2 — CID 43547779

IUPAC2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
SMILESCc1n[nH]c(C)c1NC(=O)OCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-4-6(5(2)14-13-4)12-7(15)16-3-8(9,10)11/h3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyFMWVFGOHIHSJNX-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.14
Rot. Bonds2

About 2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate

2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate (PubChem CID 43547779) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
PubChem CID43547779
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate
SMILESCc1n[nH]c(C)c1NC(=O)OCC(F)(F)F
InChIInChI=1S/C8H10F3N3O2/c1-4-6(5(2)14-13-4)12-7(15)16-3-8(9,10)11/h3H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyFMWVFGOHIHSJNX-UHFFFAOYSA-N
XLogP2.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.14
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-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate (CID 43547779) is 2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate is Cc1n[nH]c(C)c1NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate?
The InChIKey is FMWVFGOHIHSJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-4-6(5(2)14-13-4)12-7(15)16-3-8(9,10)11/h3H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate?
2,2,2-trifluoroethyl N-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate has a molecular weight of 237.18 g/mol, XLogP of 2.14, 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-(3,5-dimethyl-1H-pyrazol-4-yl)carbamate is sourced from PubChem (CID 43547779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).