1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C14H19N7O — CID 126945415

IUPAC1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CN(CCn3ccnn3)C2)c1
InChIInChI=1S/C14H19N7O/c22-14-2-1-4-20(14)12-8-16-21(11-12)13-9-18(10-13)6-7-19-5-3-15-17-19/h3,5,8,11,13H,1-2,4,6-7,9-10H2
InChIKeyVMTXAHXWYSQGEE-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.16
Rot. Bonds5

About 1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945415) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126945415
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CN(CCn3ccnn3)C2)c1
InChIInChI=1S/C14H19N7O/c22-14-2-1-4-20(14)12-8-16-21(11-12)13-9-18(10-13)6-7-19-5-3-15-17-19/h3,5,8,11,13H,1-2,4,6-7,9-10H2
InChIKeyVMTXAHXWYSQGEE-UHFFFAOYSA-N
XLogP0.16
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948381
1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945446
1-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945248
1-[1-[1-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948429
1-[1-[1-[(6-hydroxy-1,4-dioxepan-6-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945561
1-[1-[1-[(1-acetyl-3-hydroxypyrrolidin-3-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945554
1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945315
1-methyl-3-[1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946062
1-[1-[1-(1,2,5-thiadiazol-3-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945328
1-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948262
1-[1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945310

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945415) is 1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C1CCCN1c1cnn(C2CN(CCn3ccnn3)C2)c1.
What is the InChIKey of 1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is VMTXAHXWYSQGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c22-14-2-1-4-20(14)12-8-16-21(11-12)13-9-18(10-13)6-7-19-5-3-15-17-19/h3,5,8,11,13H,1-2,4,6-7,9-10H2.
What are the key properties of 1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 301.35 g/mol, XLogP of 0.16, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).