1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole

C10H17N3 — CID 130719022

IUPAC1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole
SMILESCCn1nccc1CN1CC(C)C1
InChIInChI=1S/C10H17N3/c1-3-13-10(4-5-11-13)8-12-6-9(2)7-12/h4-5,9H,3,6-8H2,1-2H3
InChIKeyHVCNJEIVKRIKHF-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.35
Rot. Bonds3

About 1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole

1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole (PubChem CID 130719022) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole
PubChem CID130719022
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole
SMILESCCn1nccc1CN1CC(C)C1
InChIInChI=1S/C10H17N3/c1-3-13-10(4-5-11-13)8-12-6-9(2)7-12/h4-5,9H,3,6-8H2,1-2H3
InChIKeyHVCNJEIVKRIKHF-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole?
The IUPAC name of 1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole (CID 130719022) is 1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole.
What is the SMILES notation for 1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole?
The canonical SMILES for 1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole is CCn1nccc1CN1CC(C)C1.
What is the InChIKey of 1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole?
The InChIKey is HVCNJEIVKRIKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-13-10(4-5-11-13)8-12-6-9(2)7-12/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole?
1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole has a molecular weight of 179.27 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[(3-methylazetidin-1-yl)methyl]pyrazole is sourced from PubChem (CID 130719022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).