1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole

C18H23N3 — CID 167968013

IUPAC1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole
SMILESCn1ccc(C2CN(CC3(c4ccccc4)CCC3)C2)n1
InChIInChI=1S/C18H23N3/c1-20-11-8-17(19-20)15-12-21(13-15)14-18(9-5-10-18)16-6-3-2-4-7-16/h2-4,6-8,11,15H,5,9-10,12-14H2,1H3
InChIKeyOSUUCJKJUOVNCL-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.94
Rot. Bonds4

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

1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole (PubChem CID 167968013) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole.

Molecular Properties

Compound Name1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole
PubChem CID167968013
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole
SMILESCn1ccc(C2CN(CC3(c4ccccc4)CCC3)C2)n1
InChIInChI=1S/C18H23N3/c1-20-11-8-17(19-20)15-12-21(13-15)14-18(9-5-10-18)16-6-3-2-4-7-16/h2-4,6-8,11,15H,5,9-10,12-14H2,1H3
InChIKeyOSUUCJKJUOVNCL-UHFFFAOYSA-N
XLogP2.94
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole?
The IUPAC name of 1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole (CID 167968013) is 1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole.
What is the SMILES notation for 1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole?
The canonical SMILES for 1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole is Cn1ccc(C2CN(CC3(c4ccccc4)CCC3)C2)n1.
What is the InChIKey of 1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole?
The InChIKey is OSUUCJKJUOVNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-20-11-8-17(19-20)15-12-21(13-15)14-18(9-5-10-18)16-6-3-2-4-7-16/h2-4,6-8,11,15H,5,9-10,12-14H2,1H3.
What are the key properties of 1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole?
1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole has a molecular weight of 281.40 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-[(1-phenylcyclobutyl)methyl]azetidin-3-yl]pyrazole is sourced from PubChem (CID 167968013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).