(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone

C19H20N6O — CID 75473451

IUPAC(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
SMILESCn1ncc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c1C1CC1
InChIInChI=1S/C19H20N6O/c1-23-18(14-7-8-14)16(9-20-23)19(26)24-10-15(11-24)25-12-17(21-22-25)13-5-3-2-4-6-13/h2-6,9,12,14-15H,7-8,10-11H2,1H3
InChIKeyVUBSHJPMSOKQPU-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.25
Rot. Bonds4

About (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone

(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone (PubChem CID 75473451) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
PubChem CID75473451
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
SMILESCn1ncc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c1C1CC1
InChIInChI=1S/C19H20N6O/c1-23-18(14-7-8-14)16(9-20-23)19(26)24-10-15(11-24)25-12-17(21-22-25)13-5-3-2-4-6-13/h2-6,9,12,14-15H,7-8,10-11H2,1H3
InChIKeyVUBSHJPMSOKQPU-UHFFFAOYSA-N
XLogP2.25
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone (CID 75473451) is (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone is Cn1ncc(C(=O)N2CC(n3cc(-c4ccccc4)nn3)C2)c1C1CC1.
What is the InChIKey of (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is VUBSHJPMSOKQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-23-18(14-7-8-14)16(9-20-23)19(26)24-10-15(11-24)25-12-17(21-22-25)13-5-3-2-4-6-13/h2-6,9,12,14-15H,7-8,10-11H2,1H3.
What are the key properties of (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
(5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 348.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-methylpyrazol-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 75473451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).