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

C18H22N6O — CID 126948459

IUPAC1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CCN(c3nccnc3C3CC3)C2)c1
InChIInChI=1S/C18H22N6O/c25-16-2-1-8-23(16)15-10-21-24(12-15)14-5-9-22(11-14)18-17(13-3-4-13)19-6-7-20-18/h6-7,10,12-14H,1-5,8-9,11H2
InChIKeyBIDYSYDRZRQXOW-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.13
Rot. Bonds4

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

1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126948459) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
PubChem CID126948459
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1c1cnn(C2CCN(c3nccnc3C3CC3)C2)c1
InChIInChI=1S/C18H22N6O/c25-16-2-1-8-23(16)15-10-21-24(12-15)14-5-9-22(11-14)18-17(13-3-4-13)19-6-7-20-18/h6-7,10,12-14H,1-5,8-9,11H2
InChIKeyBIDYSYDRZRQXOW-UHFFFAOYSA-N
XLogP2.13
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948295
1-[1-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948247
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-isoquinolin-1-ylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945315
1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948474
1-[1-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126948262
1-[1-(1-methylazetidin-3-yl)pyrazol-4-yl]pyrrolidin-2-one
CID 126945570
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-(1,2,5-thiadiazol-3-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945328
1-[1-[1-(3-chloro-4-pyridinyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945269
1-[1-[1-(5-fluoro-1,3-benzoxazol-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126948518

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126948459) is 1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C1CCCN1c1cnn(C2CCN(c3nccnc3C3CC3)C2)c1.
What is the InChIKey of 1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is BIDYSYDRZRQXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c25-16-2-1-8-23(16)15-10-21-24(12-15)14-5-9-22(11-14)18-17(13-3-4-13)19-6-7-20-18/h6-7,10,12-14H,1-5,8-9,11H2.
What are the key properties of 1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?
1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 338.42 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3-cyclopropylpyrazin-2-yl)pyrrolidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126948459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).