1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole

C14H17N3 — CID 84791613

IUPAC1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole
SMILESCc1cccc(-c2cnn(CC3CNC3)c2)c1
InChIInChI=1S/C14H17N3/c1-11-3-2-4-13(5-11)14-8-16-17(10-14)9-12-6-15-7-12/h2-5,8,10,12,15H,6-7,9H2,1H3
InChIKeyZDNPGOQHQMOVHJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.08
Rot. Bonds3

About 1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole

1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole (PubChem CID 84791613) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole.

Molecular Properties

Compound Name1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole
PubChem CID84791613
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole
SMILESCc1cccc(-c2cnn(CC3CNC3)c2)c1
InChIInChI=1S/C14H17N3/c1-11-3-2-4-13(5-11)14-8-16-17(10-14)9-12-6-15-7-12/h2-5,8,10,12,15H,6-7,9H2,1H3
InChIKeyZDNPGOQHQMOVHJ-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole?
The IUPAC name of 1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole (CID 84791613) is 1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole.
What is the SMILES notation for 1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole?
The canonical SMILES for 1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole is Cc1cccc(-c2cnn(CC3CNC3)c2)c1.
What is the InChIKey of 1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole?
The InChIKey is ZDNPGOQHQMOVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-3-2-4-13(5-11)14-8-16-17(10-14)9-12-6-15-7-12/h2-5,8,10,12,15H,6-7,9H2,1H3.
What are the key properties of 1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole?
1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole has a molecular weight of 227.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-ylmethyl)-4-(3-methylphenyl)pyrazole is sourced from PubChem (CID 84791613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).