5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole

C10H17N3 — CID 130820316

IUPAC5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1C1NCC1(C)C
InChIInChI=1S/C10H17N3/c1-7-5-12-13(4)8(7)9-10(2,3)6-11-9/h5,9,11H,6H2,1-4H3
InChIKeyJBNWUXAUBZDDRN-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.40
Rot. Bonds1

About 5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole

5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole (PubChem CID 130820316) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole.

Molecular Properties

Compound Name5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole
PubChem CID130820316
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole
SMILESCc1cnn(C)c1C1NCC1(C)C
InChIInChI=1S/C10H17N3/c1-7-5-12-13(4)8(7)9-10(2,3)6-11-9/h5,9,11H,6H2,1-4H3
InChIKeyJBNWUXAUBZDDRN-UHFFFAOYSA-N
XLogP1.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole?
The IUPAC name of 5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole (CID 130820316) is 5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole.
What is the SMILES notation for 5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole?
The canonical SMILES for 5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole is Cc1cnn(C)c1C1NCC1(C)C.
What is the InChIKey of 5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole?
The InChIKey is JBNWUXAUBZDDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-7-5-12-13(4)8(7)9-10(2,3)6-11-9/h5,9,11H,6H2,1-4H3.
What are the key properties of 5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole?
5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylazetidin-2-yl)-1,4-dimethylpyrazole is sourced from PubChem (CID 130820316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).