N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

C20H26FN3O2 — CID 169169765

IUPACN-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCn1nc(NC(=O)COC(C)(C)C)c(C2CCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O2/c1-20(2,3)26-12-16(25)22-19-17(13-6-5-7-13)18(24(4)23-19)14-8-10-15(21)11-9-14/h8-11,13H,5-7,12H2,1-4H3,(H,22,23,25)
InChIKeyNMILHVDBTQXZDN-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.25
Rot. Bonds5

About N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 169169765) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID169169765
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC NameN-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCn1nc(NC(=O)COC(C)(C)C)c(C2CCC2)c1-c1ccc(F)cc1
InChIInChI=1S/C20H26FN3O2/c1-20(2,3)26-12-16(25)22-19-17(13-6-5-7-13)18(24(4)23-19)14-8-10-15(21)11-9-14/h8-11,13H,5-7,12H2,1-4H3,(H,22,23,25)
InChIKeyNMILHVDBTQXZDN-UHFFFAOYSA-N
XLogP4.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 169169765) is N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is Cn1nc(NC(=O)COC(C)(C)C)c(C2CCC2)c1-c1ccc(F)cc1.
What is the InChIKey of N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is NMILHVDBTQXZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-20(2,3)26-12-16(25)22-19-17(13-6-5-7-13)18(24(4)23-19)14-8-10-15(21)11-9-14/h8-11,13H,5-7,12H2,1-4H3,(H,22,23,25).
What are the key properties of N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 359.45 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclobutyl-5-(4-fluorophenyl)-1-methylpyrazol-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 169169765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).