tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate

C17H23FN4O3 — CID 69261553

IUPACtert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate
SMILESCCOc1c(N(C)C(=O)OC(C)(C)C)c(C)nn1-c1cncc(F)c1
InChIInChI=1S/C17H23FN4O3/c1-7-24-15-14(21(6)16(23)25-17(3,4)5)11(2)20-22(15)13-8-12(18)9-19-10-13/h8-10H,7H2,1-6H3
InChIKeyQORFELVLIAXFOQ-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.48
Rot. Bonds4

About tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate

tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate (PubChem CID 69261553) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate
PubChem CID69261553
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC Nametert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate
SMILESCCOc1c(N(C)C(=O)OC(C)(C)C)c(C)nn1-c1cncc(F)c1
InChIInChI=1S/C17H23FN4O3/c1-7-24-15-14(21(6)16(23)25-17(3,4)5)11(2)20-22(15)13-8-12(18)9-19-10-13/h8-10H,7H2,1-6H3
InChIKeyQORFELVLIAXFOQ-UHFFFAOYSA-N
XLogP3.48
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate (CID 69261553) is tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate is CCOc1c(N(C)C(=O)OC(C)(C)C)c(C)nn1-c1cncc(F)c1.
What is the InChIKey of tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate?
The InChIKey is QORFELVLIAXFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c1-7-24-15-14(21(6)16(23)25-17(3,4)5)11(2)20-22(15)13-8-12(18)9-19-10-13/h8-10H,7H2,1-6H3.
What are the key properties of tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate?
tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate has a molecular weight of 350.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-ethoxy-1-(5-fluoro-3-pyridinyl)-3-methylpyrazol-4-yl]-N-methylcarbamate is sourced from PubChem (CID 69261553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).