1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C17H22N6O — CID 126945446

IUPAC1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CN(Cc3nccn3C3CC3)C2)c1
InChIInChI=1S/C17H22N6O/c24-17-2-1-6-22(17)14-8-19-23(11-14)15-9-20(10-15)12-16-18-5-7-21(16)13-3-4-13/h5,7-8,11,13,15H,1-4,6,9-10,12H2
InChIKeyFKQTXOSGGSMCSD-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.60
Rot. Bonds5

About 1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945446) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126945446
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CN(Cc3nccn3C3CC3)C2)c1
InChIInChI=1S/C17H22N6O/c24-17-2-1-6-22(17)14-8-19-23(11-14)15-9-20(10-15)12-16-18-5-7-21(16)13-3-4-13/h5,7-8,11,13,15H,1-4,6,9-10,12H2
InChIKeyFKQTXOSGGSMCSD-UHFFFAOYSA-N
XLogP1.60
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[1-[2-(triazol-1-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945415
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945310
1-[1-[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948387
1-[1-[1-[(3-methyltriazol-4-yl)methyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948381
1-[1-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948271
1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945315
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-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948429
1-[1-(1-methylsulfonylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945248
1-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948262
1-[1-[1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948421

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945446) is 1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C1CCCN1c1cnn(C2CN(Cc3nccn3C3CC3)C2)c1.
What is the InChIKey of 1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is FKQTXOSGGSMCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c24-17-2-1-6-22(17)14-8-19-23(11-14)15-9-20(10-15)12-16-18-5-7-21(16)13-3-4-13/h5,7-8,11,13,15H,1-4,6,9-10,12H2.
What are the key properties of 1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(1-cyclopropylimidazol-2-yl)methyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).