N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide

C13H18N4O2 — CID 103163607

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2c(C#N)cnn2C)C1
InChIInChI=1S/C13H18N4O2/c1-3-19-11-4-9(5-11)6-12(18)16-13-10(7-14)8-15-17(13)2/h8-9,11H,3-6H2,1-2H3,(H,16,18)
InChIKeyVOSDICPGJHJYIM-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.44
Rot. Bonds5

About N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide

N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide (PubChem CID 103163607) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide
PubChem CID103163607
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide
SMILESCCOC1CC(CC(=O)Nc2c(C#N)cnn2C)C1
InChIInChI=1S/C13H18N4O2/c1-3-19-11-4-9(5-11)6-12(18)16-13-10(7-14)8-15-17(13)2/h8-9,11H,3-6H2,1-2H3,(H,16,18)
InChIKeyVOSDICPGJHJYIM-UHFFFAOYSA-N
XLogP1.44
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide (CID 103163607) is N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide is CCOC1CC(CC(=O)Nc2c(C#N)cnn2C)C1.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide?
The InChIKey is VOSDICPGJHJYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-19-11-4-9(5-11)6-12(18)16-13-10(7-14)8-15-17(13)2/h8-9,11H,3-6H2,1-2H3,(H,16,18).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide has a molecular weight of 262.31 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2-(3-ethoxycyclobutyl)acetamide is sourced from PubChem (CID 103163607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).