ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole

C17H34N4 — CID 142368902

IUPACethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole
SMILESCC.CC.Cc1cnn(C2CN(CC3CCN(C)C3)C2)c1
InChIInChI=1S/C13H22N4.2C2H6/c1-11-5-14-17(6-11)13-9-16(10-13)8-12-3-4-15(2)7-12;2*1-2/h5-6,12-13H,3-4,7-10H2,1-2H3;2*1-2H3
InChIKeyHJHBPMZDHHUPBC-UHFFFAOYSA-N
MW294.49 g/mol
LogP3.05
Rot. Bonds3

About ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole

ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole (PubChem CID 142368902) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole.

Molecular Properties

Compound Nameethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole
PubChem CID142368902
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Nameethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole
SMILESCC.CC.Cc1cnn(C2CN(CC3CCN(C)C3)C2)c1
InChIInChI=1S/C13H22N4.2C2H6/c1-11-5-14-17(6-11)13-9-16(10-13)8-12-3-4-15(2)7-12;2*1-2/h5-6,12-13H,3-4,7-10H2,1-2H3;2*1-2H3
InChIKeyHJHBPMZDHHUPBC-UHFFFAOYSA-N
XLogP3.05
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole?
The IUPAC name of ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole (CID 142368902) is ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole.
What is the SMILES notation for ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole?
The canonical SMILES for ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole is CC.CC.Cc1cnn(C2CN(CC3CCN(C)C3)C2)c1.
What is the InChIKey of ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole?
The InChIKey is HJHBPMZDHHUPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4.2C2H6/c1-11-5-14-17(6-11)13-9-16(10-13)8-12-3-4-15(2)7-12;2*1-2/h5-6,12-13H,3-4,7-10H2,1-2H3;2*1-2H3.
What are the key properties of ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole?
ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole has a molecular weight of 294.49 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole is sourced from PubChem (CID 142368902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).