2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate

C11H9F3N4O2 — CID 65168775

IUPAC2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate
SMILESO=C(Nc1ccc(-n2cccn2)nc1)OCC(F)(F)F
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)7-20-10(19)17-8-2-3-9(15-6-8)18-5-1-4-16-18/h1-6H,7H2,(H,17,19)
InChIKeyROMMKUJFIOXCGO-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.38
Rot. Bonds3

About 2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate

2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate (PubChem CID 65168775) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate
PubChem CID65168775
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC Name2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate
SMILESO=C(Nc1ccc(-n2cccn2)nc1)OCC(F)(F)F
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)7-20-10(19)17-8-2-3-9(15-6-8)18-5-1-4-16-18/h1-6H,7H2,(H,17,19)
InChIKeyROMMKUJFIOXCGO-UHFFFAOYSA-N
XLogP2.38
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,2-trifluoroethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 47089503
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
2,2,2-trifluoroethyl N-(2-pyrazol-1-yl-3-pyridinyl)carbamate
CID 47002174
tert-butyl N-[2-methyl-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)amino]propan-2-yl]carbamate
CID 51095358
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
3-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25349174
4-amino-3-methoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 103154657
4-phenoxy-N-(6-pyrazol-1-yl-3-pyridinyl)butanamide
CID 25333573
2,2,2-trichloroethyl N-(4-pyrazol-1-ylphenyl)carbamate
CID 86245202
2,2,2-trifluoroethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 65173978
2,2,2-trifluoroethyl N-[6-(diethylamino)-3-pyridinyl]carbamate
CID 47002275
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 6-pyrazol-1-ylpyridine-3-carboxylate
CID 55522398

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate (CID 65168775) is 2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate is O=C(Nc1ccc(-n2cccn2)nc1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate?
The InChIKey is ROMMKUJFIOXCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-11(13,14)7-20-10(19)17-8-2-3-9(15-6-8)18-5-1-4-16-18/h1-6H,7H2,(H,17,19).
What are the key properties of 2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate?
2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate has a molecular weight of 286.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(6-pyrazol-1-yl-3-pyridinyl)carbamate is sourced from PubChem (CID 65168775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).