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

C10H17N3 — CID 134316847

IUPAC5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole
SMILESCc1cc(C2CNC2)n(C(C)C)n1
InChIInChI=1S/C10H17N3/c1-7(2)13-10(4-8(3)12-13)9-5-11-6-9/h4,7,9,11H,5-6H2,1-3H3
InChIKeyVYUYJIHYCCUJMA-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.46
Rot. Bonds2

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

5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole (PubChem CID 134316847) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole
PubChem CID134316847
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole
SMILESCc1cc(C2CNC2)n(C(C)C)n1
InChIInChI=1S/C10H17N3/c1-7(2)13-10(4-8(3)12-13)9-5-11-6-9/h4,7,9,11H,5-6H2,1-3H3
InChIKeyVYUYJIHYCCUJMA-UHFFFAOYSA-N
XLogP1.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.46
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?
The IUPAC name of 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole (CID 134316847) is 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole is Cc1cc(C2CNC2)n(C(C)C)n1.
What is the InChIKey of 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole?
The InChIKey is VYUYJIHYCCUJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7(2)13-10(4-8(3)12-13)9-5-11-6-9/h4,7,9,11H,5-6H2,1-3H3.
What are the key properties of 5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole?
5-(azetidin-3-yl)-3-methyl-1-propan-2-ylpyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.46, 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 is sourced from PubChem (CID 134316847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).