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

C13H22N4 — CID 134579243

IUPAC4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole
SMILESCc1cnn(C2CN(CC3CCN(C)C3)C2)c1
InChIInChI=1S/C13H22N4/c1-11-5-14-17(6-11)13-9-16(10-13)8-12-3-4-15(2)7-12/h5-6,12-13H,3-4,7-10H2,1-2H3
InChIKeyAKTWVIMJDHKDAP-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.00
Rot. Bonds3

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

4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole (PubChem CID 134579243) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole.

Molecular Properties

Compound Name4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole
PubChem CID134579243
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole
SMILESCc1cnn(C2CN(CC3CCN(C)C3)C2)c1
InChIInChI=1S/C13H22N4/c1-11-5-14-17(6-11)13-9-16(10-13)8-12-3-4-15(2)7-12/h5-6,12-13H,3-4,7-10H2,1-2H3
InChIKeyAKTWVIMJDHKDAP-UHFFFAOYSA-N
XLogP1.00
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole?
The IUPAC name of 4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole (CID 134579243) is 4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole.
What is the SMILES notation for 4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole?
The canonical SMILES for 4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole is Cc1cnn(C2CN(CC3CCN(C)C3)C2)c1.
What is the InChIKey of 4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole?
The InChIKey is AKTWVIMJDHKDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-11-5-14-17(6-11)13-9-16(10-13)8-12-3-4-15(2)7-12/h5-6,12-13H,3-4,7-10H2,1-2H3.
What are the key properties of 4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole?
4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole has a molecular weight of 234.35 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-[(1-methylpyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazole is sourced from PubChem (CID 134579243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).