1-(1-butan-2-ylazetidin-3-yl)pyrazole

C10H17N3 — CID 131132060

IUPAC1-(1-butan-2-ylazetidin-3-yl)pyrazole
SMILESCCC(C)N1CC(n2cccn2)C1
InChIInChI=1S/C10H17N3/c1-3-9(2)12-7-10(8-12)13-6-4-5-11-13/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyWQSUJVOZZJVJQO-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.54
Rot. Bonds3

About 1-(1-butan-2-ylazetidin-3-yl)pyrazole

1-(1-butan-2-ylazetidin-3-yl)pyrazole (PubChem CID 131132060) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-(1-butan-2-ylazetidin-3-yl)pyrazole.

Molecular Properties

Compound Name1-(1-butan-2-ylazetidin-3-yl)pyrazole
PubChem CID131132060
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-(1-butan-2-ylazetidin-3-yl)pyrazole
SMILESCCC(C)N1CC(n2cccn2)C1
InChIInChI=1S/C10H17N3/c1-3-9(2)12-7-10(8-12)13-6-4-5-11-13/h4-6,9-10H,3,7-8H2,1-2H3
InChIKeyWQSUJVOZZJVJQO-UHFFFAOYSA-N
XLogP1.54
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butan-2-ylazetidin-3-yl)pyrazole?
The IUPAC name of 1-(1-butan-2-ylazetidin-3-yl)pyrazole (CID 131132060) is 1-(1-butan-2-ylazetidin-3-yl)pyrazole.
What is the SMILES notation for 1-(1-butan-2-ylazetidin-3-yl)pyrazole?
The canonical SMILES for 1-(1-butan-2-ylazetidin-3-yl)pyrazole is CCC(C)N1CC(n2cccn2)C1.
What is the InChIKey of 1-(1-butan-2-ylazetidin-3-yl)pyrazole?
The InChIKey is WQSUJVOZZJVJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-9(2)12-7-10(8-12)13-6-4-5-11-13/h4-6,9-10H,3,7-8H2,1-2H3.
What are the key properties of 1-(1-butan-2-ylazetidin-3-yl)pyrazole?
1-(1-butan-2-ylazetidin-3-yl)pyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-ylazetidin-3-yl)pyrazole is sourced from PubChem (CID 131132060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).