2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate

C12H10F3N3O2 — CID 47089503

IUPAC2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate
SMILESO=C(Nc1cccc(-n2cccn2)c1)OCC(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)8-20-11(19)17-9-3-1-4-10(7-9)18-6-2-5-16-18/h1-7H,8H2,(H,17,19)
InChIKeyYFFOJVWOHDHYTM-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.98
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate

2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate (PubChem CID 47089503) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate
PubChem CID47089503
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Name2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate
SMILESO=C(Nc1cccc(-n2cccn2)c1)OCC(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c13-12(14,15)8-20-11(19)17-9-3-1-4-10(7-9)18-6-2-5-16-18/h1-7H,8H2,(H,17,19)
InChIKeyYFFOJVWOHDHYTM-UHFFFAOYSA-N
XLogP2.98
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate
CID 65168775
2,2,2-trifluoroethyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 39871511
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
2,2,2-trichloroethyl N-(4-pyrazol-1-ylphenyl)carbamate
CID 86245202
2,2,2-trifluoroethyl N-(2-pyrazol-1-yl-3-pyridinyl)carbamate
CID 47002174
2,2,2-trifluoroethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 65173978
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide
CID 60868167
2-(cyclopropylmethylamino)-N-(3-pyrazol-1-ylphenyl)acetamide;hydrochloride
CID 119708752
(E)-N-(3-pyrazol-1-ylphenyl)but-2-enamide
CID 110470249

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate (CID 47089503) is 2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate is O=C(Nc1cccc(-n2cccn2)c1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate?
The InChIKey is YFFOJVWOHDHYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-12(14,15)8-20-11(19)17-9-3-1-4-10(7-9)18-6-2-5-16-18/h1-7H,8H2,(H,17,19).
What are the key properties of 2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate?
2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate has a molecular weight of 285.23 g/mol, XLogP of 2.98, 3 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-(3-pyrazol-1-ylphenyl)carbamate is sourced from PubChem (CID 47089503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).