1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole

C14H17N3 — CID 79451774

IUPAC1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole
SMILESCn1cc(CC2(c3ccccc3)CNC2)cn1
InChIInChI=1S/C14H17N3/c1-17-9-12(8-16-17)7-14(10-15-11-14)13-5-3-2-4-6-13/h2-6,8-9,15H,7,10-11H2,1H3
InChIKeyXJQQRRLITOEDRM-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.50
Rot. Bonds3

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

1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole (PubChem CID 79451774) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole
PubChem CID79451774
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole
SMILESCn1cc(CC2(c3ccccc3)CNC2)cn1
InChIInChI=1S/C14H17N3/c1-17-9-12(8-16-17)7-14(10-15-11-14)13-5-3-2-4-6-13/h2-6,8-9,15H,7,10-11H2,1H3
InChIKeyXJQQRRLITOEDRM-UHFFFAOYSA-N
XLogP1.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole?
The IUPAC name of 1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole (CID 79451774) is 1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole.
What is the SMILES notation for 1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole?
The canonical SMILES for 1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole is Cn1cc(CC2(c3ccccc3)CNC2)cn1.
What is the InChIKey of 1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole?
The InChIKey is XJQQRRLITOEDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17-9-12(8-16-17)7-14(10-15-11-14)13-5-3-2-4-6-13/h2-6,8-9,15H,7,10-11H2,1H3.
What are the key properties of 1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole?
1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole has a molecular weight of 227.31 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3-phenylazetidin-3-yl)methyl]pyrazole is sourced from PubChem (CID 79451774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).