1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen

C16H25N3O — CID 167485845

IUPAC1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen
SMILESCC.COc1c(C)cccc1-c1cnn(C2CNC2)c1.[H][H]
InChIInChI=1S/C14H17N3O.C2H6.H2/c1-10-4-3-5-13(14(10)18-2)11-6-16-17(9-11)12-7-15-8-12;1-2;/h3-6,9,12,15H,7-8H2,1-2H3;1-2H3;1H
InChIKeyOWCXPNUXFIEQOE-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.28
Rot. Bonds3

About 1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen

1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen (PubChem CID 167485845) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen.

Molecular Properties

Compound Name1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen
PubChem CID167485845
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen
SMILESCC.COc1c(C)cccc1-c1cnn(C2CNC2)c1.[H][H]
InChIInChI=1S/C14H17N3O.C2H6.H2/c1-10-4-3-5-13(14(10)18-2)11-6-16-17(9-11)12-7-15-8-12;1-2;/h3-6,9,12,15H,7-8H2,1-2H3;1-2H3;1H
InChIKeyOWCXPNUXFIEQOE-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen?
The IUPAC name of 1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen (CID 167485845) is 1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen.
What is the SMILES notation for 1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen?
The canonical SMILES for 1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen is CC.COc1c(C)cccc1-c1cnn(C2CNC2)c1.[H][H].
What is the InChIKey of 1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen?
The InChIKey is OWCXPNUXFIEQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.C2H6.H2/c1-10-4-3-5-13(14(10)18-2)11-6-16-17(9-11)12-7-15-8-12;1-2;/h3-6,9,12,15H,7-8H2,1-2H3;1-2H3;1H.
What are the key properties of 1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen?
1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen has a molecular weight of 275.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-4-(2-methoxy-3-methylphenyl)pyrazole;ethane;molecular hydrogen is sourced from PubChem (CID 167485845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).