5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one

C11H14N4O2 — CID 126900088

IUPAC5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CC(n3cccn3)C2)N1
InChIInChI=1S/C11H14N4O2/c16-10-3-2-9(13-10)11(17)14-6-8(7-14)15-5-1-4-12-15/h1,4-5,8-9H,2-3,6-7H2,(H,13,16)
InChIKeyPKUVGLQOELDJGE-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.46
Rot. Bonds2

About 5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one

5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 126900088) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one
PubChem CID126900088
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CC(n3cccn3)C2)N1
InChIInChI=1S/C11H14N4O2/c16-10-3-2-9(13-10)11(17)14-6-8(7-14)15-5-1-4-12-15/h1,4-5,8-9H,2-3,6-7H2,(H,13,16)
InChIKeyPKUVGLQOELDJGE-UHFFFAOYSA-N
XLogP-0.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-5-(3-hydroxyazetidine-1-carbonyl)pyrrolidin-2-one
CID 103782617
5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90508533
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
(1-methylpiperidin-3-yl)-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900094
3-pyrazol-1-ylcyclopentan-1-one
CID 59486117
3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900108
4-(3-pyrazol-1-ylazetidine-1-carbonyl)-2H-phthalazin-1-one
CID 126900137
1H-pyrazol-5-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900110
1H-imidazol-5-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946369
(4S)-1-(cyclopropylmethyl)-4-[(3S)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158276
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158638
(4R)-1-(cyclopropylmethyl)-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158273

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one (CID 126900088) is 5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one is O=C1CCC(C(=O)N2CC(n3cccn3)C2)N1.
What is the InChIKey of 5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is PKUVGLQOELDJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c16-10-3-2-9(13-10)11(17)14-6-8(7-14)15-5-1-4-12-15/h1,4-5,8-9H,2-3,6-7H2,(H,13,16).
What are the key properties of 5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one?
5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 234.26 g/mol, XLogP of -0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 126900088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).