2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate

C7H8F3N3O2 — CID 103280977

IUPAC2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate
SMILESCn1nccc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c1-13-5(2-3-11-13)12-6(14)15-4-7(8,9)10/h2-3H,4H2,1H3,(H,12,14)
InChIKeyKHMBEHJKOBCMJX-UHFFFAOYSA-N
MW223.15 g/mol
LogP1.53
Rot. Bonds2

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

2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate (PubChem CID 103280977) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate
PubChem CID103280977
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate
SMILESCn1nccc1NC(=O)OCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c1-13-5(2-3-11-13)12-6(14)15-4-7(8,9)10/h2-3H,4H2,1H3,(H,12,14)
InChIKeyKHMBEHJKOBCMJX-UHFFFAOYSA-N
XLogP1.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-Ethyl-1H-pyrazol-5-yl)-2,2,2-trifluoroacetamide
CID 57698727
2,2,2-trifluoro-N-(1-methyl-1H-pyrazol-5-yl)acetamide
CID 75480930
[1-(2-fluoroethyl)-1H-pyrazol-5-yl]formamide
CID 85666041
N-(2-ethylpyrazol-3-yl)-2-fluoroacetamide
CID 89187445
[1-(5,5-Difluorohexyl)pyrazol-3-yl]carbamic acid
CID 91197320
tert-butyl N-[2-(difluoromethyl)pyrazol-3-yl]carbamate
CID 121439709
[2-(Difluoromethyl)pyrazol-3-yl]carbamic acid
CID 130424109
[2-(2-Fluoroethyl)pyrazol-3-yl]carbamic acid
CID 130424129
tert-butyl N-[2-(2-fluoroethyl)pyrazol-3-yl]carbamate
CID 130444387
N-[1-(difluoromethyl)pyrazol-3-yl]propanamide
CID 140163494
[2-(Trifluoromethyl)pyrazol-3-yl]urea
CID 142785601
Ethyl 3-oxo-3-[[2-(3,3,3-trifluoropropyl)pyrazol-3-yl]amino]propanoate
CID 155595167

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate (CID 103280977) is 2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate is Cn1nccc1NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate?
The InChIKey is KHMBEHJKOBCMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-13-5(2-3-11-13)12-6(14)15-4-7(8,9)10/h2-3H,4H2,1H3,(H,12,14).
What are the key properties of 2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate?
2,2,2-trifluoroethyl N-(2-methylpyrazol-3-yl)carbamate has a molecular weight of 223.15 g/mol, XLogP of 1.53, 2 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-(2-methylpyrazol-3-yl)carbamate is sourced from PubChem (CID 103280977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).