5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane

C12H23N3 — CID 144669814

IUPAC5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane
SMILESCC.Cc1cc(C2CNC2)n(C(C)C)n1
InChIInChI=1S/C10H17N3.C2H6/c1-7(2)13-10(4-8(3)12-13)9-5-11-6-9;1-2/h4,7,9,11H,5-6H2,1-3H3;1-2H3
InChIKeyTWXNIGMZRBDBHQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.49
Rot. Bonds2

About 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane

5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane (PubChem CID 144669814) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane
PubChem CID144669814
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane
SMILESCC.Cc1cc(C2CNC2)n(C(C)C)n1
InChIInChI=1S/C10H17N3.C2H6/c1-7(2)13-10(4-8(3)12-13)9-5-11-6-9;1-2/h4,7,9,11H,5-6H2,1-3H3;1-2H3
InChIKeyTWXNIGMZRBDBHQ-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane?
The IUPAC name of 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane (CID 144669814) is 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane.
What is the SMILES notation for 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane?
The canonical SMILES for 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane is CC.Cc1cc(C2CNC2)n(C(C)C)n1.
What is the InChIKey of 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane?
The InChIKey is TWXNIGMZRBDBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.C2H6/c1-7(2)13-10(4-8(3)12-13)9-5-11-6-9;1-2/h4,7,9,11H,5-6H2,1-3H3;1-2H3.
What are the key properties of 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane?
5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane has a molecular weight of 209.34 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole;ethane is sourced from PubChem (CID 144669814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).