2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate

C15H15F3N4O3 — CID 87023108

IUPAC2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate
SMILESO=C(CNC(=O)OCC(F)(F)F)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C15H15F3N4O3/c16-15(17,18)10-25-14(24)19-8-13(23)21-12-4-1-3-11(7-12)9-22-6-2-5-20-22/h1-7H,8-10H2,(H,19,24)(H,21,23)
InChIKeyIAWPWPAGHTUKOE-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.16
Rot. Bonds6

About 2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate

2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate (PubChem CID 87023108) has the molecular formula C15H15F3N4O3 and a molecular weight of 356.30 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate
PubChem CID87023108
Molecular FormulaC15H15F3N4O3
Molecular Weight356.30 g/mol
Exact Mass356.11
IUPAC Name2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate
SMILESO=C(CNC(=O)OCC(F)(F)F)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C15H15F3N4O3/c16-15(17,18)10-25-14(24)19-8-13(23)21-12-4-1-3-11(7-12)9-22-6-2-5-20-22/h1-7H,8-10H2,(H,19,24)(H,21,23)
InChIKeyIAWPWPAGHTUKOE-UHFFFAOYSA-N
XLogP2.16
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-(2-methoxyethylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 79272205
2-methyl-2-(methylamino)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 62836036
tert-butyl N-[2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate
CID 103817970
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 19519463
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
1-[3-oxo-3-[3-(pyrazol-1-ylmethyl)anilino]propyl]pyrazole-4-carboxylic acid
CID 19483026
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 43697329
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 47089503
(2S)-2-amino-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]pentanamide
CID 61172469
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate (CID 87023108) is 2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate is O=C(CNC(=O)OCC(F)(F)F)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate?
The InChIKey is IAWPWPAGHTUKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O3/c16-15(17,18)10-25-14(24)19-8-13(23)21-12-4-1-3-11(7-12)9-22-6-2-5-20-22/h1-7H,8-10H2,(H,19,24)(H,21,23).
What are the key properties of 2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate has a molecular weight of 356.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-oxo-2-[3-(pyrazol-1-ylmethyl)anilino]ethyl]carbamate is sourced from PubChem (CID 87023108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).