2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate

C7H8F3N3O2 — CID 47321938

IUPAC2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate
SMILESO=C(NCc1ccn[nH]1)OCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)4-15-6(14)11-3-5-1-2-12-13-5/h1-2H,3-4H2,(H,11,14)(H,12,13)
InChIKeyKEKMJLXNECHPPH-UHFFFAOYSA-N
MW223.15 g/mol
LogP1.20
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate

2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate (PubChem CID 47321938) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate
PubChem CID47321938
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate
SMILESO=C(NCc1ccn[nH]1)OCC(F)(F)F
InChIInChI=1S/C7H8F3N3O2/c8-7(9,10)4-15-6(14)11-3-5-1-2-12-13-5/h1-2H,3-4H2,(H,11,14)(H,12,13)
InChIKeyKEKMJLXNECHPPH-UHFFFAOYSA-N
XLogP1.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(1H-pyrazol-3-ylmethyl)carbamate
CID 61283348
ethyl N-[5-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
CID 17996775
2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)ethanamine
CID 43662220
3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 60977213
2,2,2-trifluoroethyl N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamate
CID 61067496
N-(1H-pyrazol-5-ylmethyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 61217829
2,2,2-trifluoro-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 61284132
N-(1H-pyrazol-5-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63000735
3,3,3-trifluoro-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 63226511
2,2,2-trifluoroethyl N-[(2-methylpyrazol-3-yl)methyl]carbamate
CID 65173292
4,4,4-trifluoro-N-(1H-pyrazol-5-ylmethyl)butanamide
CID 65711766
ethyl (2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807999

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate (CID 47321938) is 2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate is O=C(NCc1ccn[nH]1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate?
The InChIKey is KEKMJLXNECHPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c8-7(9,10)4-15-6(14)11-3-5-1-2-12-13-5/h1-2H,3-4H2,(H,11,14)(H,12,13).
What are the key properties of 2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate?
2,2,2-trifluoroethyl N-(1H-pyrazol-5-ylmethyl)carbamate has a molecular weight of 223.15 g/mol, XLogP of 1.20, 3 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-(1H-pyrazol-5-ylmethyl)carbamate is sourced from PubChem (CID 47321938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).