ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole

C15H29N3O — CID 144666973

IUPACethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole
SMILESCC.COC1(C)CN(CCCn2cc(C)c(C)n2)C1
InChIInChI=1S/C13H23N3O.C2H6/c1-11-8-16(14-12(11)2)7-5-6-15-9-13(3,10-15)17-4;1-2/h8H,5-7,9-10H2,1-4H3;1-2H3
InChIKeyLXMFDPYVOYUPTI-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.64
Rot. Bonds5

About ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole

ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole (PubChem CID 144666973) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole.

Molecular Properties

Compound Nameethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole
PubChem CID144666973
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Nameethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole
SMILESCC.COC1(C)CN(CCCn2cc(C)c(C)n2)C1
InChIInChI=1S/C13H23N3O.C2H6/c1-11-8-16(14-12(11)2)7-5-6-15-9-13(3,10-15)17-4;1-2/h8H,5-7,9-10H2,1-4H3;1-2H3
InChIKeyLXMFDPYVOYUPTI-UHFFFAOYSA-N
XLogP2.64
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole?
The IUPAC name of ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole (CID 144666973) is ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole.
What is the SMILES notation for ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole?
The canonical SMILES for ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole is CC.COC1(C)CN(CCCn2cc(C)c(C)n2)C1.
What is the InChIKey of ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole?
The InChIKey is LXMFDPYVOYUPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O.C2H6/c1-11-8-16(14-12(11)2)7-5-6-15-9-13(3,10-15)17-4;1-2/h8H,5-7,9-10H2,1-4H3;1-2H3.
What are the key properties of ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole?
ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole has a molecular weight of 267.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(3-methoxy-3-methylazetidin-1-yl)propyl]-3,4-dimethylpyrazole is sourced from PubChem (CID 144666973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).