tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C15H24FN3O5 — CID 126593595

IUPACtert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnn(CCO)c1F
InChIInChI=1S/C15H24FN3O5/c1-14(2,3)23-12(21)19(13(22)24-15(4,5)6)10-9-17-18(7-8-20)11(10)16/h9,20H,7-8H2,1-6H3
InChIKeyTUYGQGCHWTTXLN-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.69
Rot. Bonds3

About tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 126593595) has the molecular formula C15H24FN3O5 and a molecular weight of 345.37 g/mol. Its IUPAC name is tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID126593595
Molecular FormulaC15H24FN3O5
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Nametert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnn(CCO)c1F
InChIInChI=1S/C15H24FN3O5/c1-14(2,3)23-12(21)19(13(22)24-15(4,5)6)10-9-17-18(7-8-20)11(10)16/h9,20H,7-8H2,1-6H3
InChIKeyTUYGQGCHWTTXLN-UHFFFAOYSA-N
XLogP2.69
TPSA93.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 126593595) is tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1cnn(CCO)c1F.
What is the InChIKey of tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is TUYGQGCHWTTXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3O5/c1-14(2,3)23-12(21)19(13(22)24-15(4,5)6)10-9-17-18(7-8-20)11(10)16/h9,20H,7-8H2,1-6H3.
What are the key properties of tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 345.37 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-fluoro-1-(2-hydroxyethyl)pyrazol-4-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 126593595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).