ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate

C17H20FN3O2 — CID 169169849

IUPACethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate
SMILESCCOC(=O)Nc1nn(C)c(-c2ccc(F)cc2)c1C1CCC1
InChIInChI=1S/C17H20FN3O2/c1-3-23-17(22)19-16-14(11-5-4-6-11)15(21(2)20-16)12-7-9-13(18)10-8-12/h7-11H,3-6H2,1-2H3,(H,19,20,22)
InChIKeyZNPGDZIZMOMDEV-UHFFFAOYSA-N
MW317.36 g/mol
LogP4.06
Rot. Bonds4

About ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate

ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate (PubChem CID 169169849) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate
PubChem CID169169849
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC Nameethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate
SMILESCCOC(=O)Nc1nn(C)c(-c2ccc(F)cc2)c1C1CCC1
InChIInChI=1S/C17H20FN3O2/c1-3-23-17(22)19-16-14(11-5-4-6-11)15(21(2)20-16)12-7-9-13(18)10-8-12/h7-11H,3-6H2,1-2H3,(H,19,20,22)
InChIKeyZNPGDZIZMOMDEV-UHFFFAOYSA-N
XLogP4.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate?
The IUPAC name of ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate (CID 169169849) is ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate?
The canonical SMILES for ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate is CCOC(=O)Nc1nn(C)c(-c2ccc(F)cc2)c1C1CCC1.
What is the InChIKey of ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate?
The InChIKey is ZNPGDZIZMOMDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c1-3-23-17(22)19-16-14(11-5-4-6-11)15(21(2)20-16)12-7-9-13(18)10-8-12/h7-11H,3-6H2,1-2H3,(H,19,20,22).
What are the key properties of ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate?
ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate has a molecular weight of 317.36 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 169169849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).