methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate

C8H10F3N3O2 — CID 71807998

IUPACmethyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
SMILESCOC(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c1-16-7(15)12-3-5-14-4-2-6(13-14)8(9,10)11/h2,4H,3,5H2,1H3,(H,12,15)
InChIKeyNPDRUWFPQZSVTA-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.26
Rot. Bonds3

About methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate

methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate (PubChem CID 71807998) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
PubChem CID71807998
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Namemethyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate
SMILESCOC(=O)NCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c1-16-7(15)12-3-5-14-4-2-6(13-14)8(9,10)11/h2,4H,3,5H2,1H3,(H,12,15)
InChIKeyNPDRUWFPQZSVTA-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-2-amine
CID 19616395
2-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]ethanamine
CID 19620741
N-tert-butyl-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 2809211
2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-amine hydrochloride
CID 90482923
Methyl 3-(trifluoromethyl)pyrazole-1-carboxylate
CID 177853137
n-(Tert-pentyl)-2-(3-(trifluoromethyl)-1h-pyrazol-1-yl)acetamide
CID 45794451
1-(2-methoxyethyl)-3-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)urea
CID 71808074
3-sulfanyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propanamide
CID 177680730
1-cyclohexyl-3-{1-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propan-2-yl}urea
CID 17026430
N-[2-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]cyclopropanecarboxamide
CID 19587970
N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530990
N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]formamide
CID 53965845

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate (CID 71807998) is methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate is COC(=O)NCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
The InChIKey is NPDRUWFPQZSVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-16-7(15)12-3-5-14-4-2-6(13-14)8(9,10)11/h2,4H,3,5H2,1H3,(H,12,15).
What are the key properties of methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate?
methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate has a molecular weight of 237.18 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 71807998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).