1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one

C19H19N5O — CID 126945315

IUPAC1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CN(c3nccc4ccccc34)C2)c1
InChIInChI=1S/C19H19N5O/c25-18-6-3-9-23(18)15-10-21-24(13-15)16-11-22(12-16)19-17-5-2-1-4-14(17)7-8-20-19/h1-2,4-5,7-8,10,13,16H,3,6,9,11-12H2
InChIKeyMJVKJMOSMNNSFD-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.62
Rot. Bonds3

About 1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one

1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945315) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126945315
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CN(c3nccc4ccccc34)C2)c1
InChIInChI=1S/C19H19N5O/c25-18-6-3-9-23(18)15-10-21-24(13-15)16-11-22(12-16)19-17-5-2-1-4-14(17)7-8-20-19/h1-2,4-5,7-8,10,13,16H,3,6,9,11-12H2
InChIKeyMJVKJMOSMNNSFD-UHFFFAOYSA-N
XLogP2.62
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(1-quinolin-4-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948313
1-[1-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948471
1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945269
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948459
1-[1-(1-thieno[3,2-d]pyrimidin-4-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945353
1-[1-[1-(1,2,5-thiadiazol-3-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945328
1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948247
1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945532
1-[1-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945531
1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945584
1-[1-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945517

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one (CID 126945315) is 1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one is O=C1CCCN1c1cnn(C2CN(c3nccc4ccccc34)C2)c1.
What is the InChIKey of 1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is MJVKJMOSMNNSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-18-6-3-9-23(18)15-10-21-24(13-15)16-11-22(12-16)19-17-5-2-1-4-14(17)7-8-20-19/h1-2,4-5,7-8,10,13,16H,3,6,9,11-12H2.
What are the key properties of 1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one?
1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 333.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).