tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane

C11H20FN3O2S — CID 142427527

IUPACtert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane
SMILESCC.Cc1c(NC(=O)OC(C)(C)C)cnn1SF
InChIInChI=1S/C9H14FN3O2S.C2H6/c1-6-7(5-11-13(6)16-10)12-8(14)15-9(2,3)4;1-2/h5H,1-4H3,(H,12,14);1-2H3
InChIKeyMYCSJERJNHYCQM-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.95
Rot. Bonds2

About tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane

tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane (PubChem CID 142427527) has the molecular formula C11H20FN3O2S and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane
PubChem CID142427527
Molecular FormulaC11H20FN3O2S
Molecular Weight277.37 g/mol
Exact Mass277.13
IUPAC Nametert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane
SMILESCC.Cc1c(NC(=O)OC(C)(C)C)cnn1SF
InChIInChI=1S/C9H14FN3O2S.C2H6/c1-6-7(5-11-13(6)16-10)12-8(14)15-9(2,3)4;1-2/h5H,1-4H3,(H,12,14);1-2H3
InChIKeyMYCSJERJNHYCQM-UHFFFAOYSA-N
XLogP3.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(1,5-dimethylpyrazol-4-yl)carbamate
CID 67304447
tert-butyl N-(5-fluoro-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 156715468
tert-butyl N-(5-bromo-1-methylpyrazol-4-yl)carbamate
CID 146155648
tert-butyl N-(1-ethyl-5-iodopyrazol-4-yl)carbamate
CID 155822698
1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazole-5-carboxylic acid
CID 83387273
tert-butyl N-[1-pyridin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 169213488
tert-butyl N-[5-(1-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384087
tert-butyl N-(7-oxo-6H-pyrazolo[1,5-c]pyrimidin-3-yl)carbamate
CID 171775901
tert-butyl N-[5-(2-aminoethyl)-1-methylpyrazol-4-yl]carbamate
CID 83384262
tert-butyl N-[5-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]carbamate;ethane
CID 156715413
tert-butyl N-(5-bromo-4,6-dimethyl-3-pyridinyl)carbamate;ethane
CID 142447480
tert-butyl N-[1-(5-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]carbamate
CID 176658830

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane?
The IUPAC name of tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane (CID 142427527) is tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane.
What is the SMILES notation for tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane?
The canonical SMILES for tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane is CC.Cc1c(NC(=O)OC(C)(C)C)cnn1SF.
What is the InChIKey of tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane?
The InChIKey is MYCSJERJNHYCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2S.C2H6/c1-6-7(5-11-13(6)16-10)12-8(14)15-9(2,3)4;1-2/h5H,1-4H3,(H,12,14);1-2H3.
What are the key properties of tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane?
tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane has a molecular weight of 277.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-fluorosulfanyl-5-methylpyrazol-4-yl)carbamate;ethane is sourced from PubChem (CID 142427527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).