5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

C14H21N5O2 — CID 90508533

IUPAC5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(CCn3cccn3)CC2)N1
InChIInChI=1S/C14H21N5O2/c20-13-3-2-12(16-13)14(21)18-9-6-17(7-10-18)8-11-19-5-1-4-15-19/h1,4-5,12H,2-3,6-11H2,(H,16,20)
InChIKeySBYWPQJELVASEK-UHFFFAOYSA-N
MW291.35 g/mol
LogP-0.69
Rot. Bonds4

About 5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one

5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (PubChem CID 90508533) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
PubChem CID90508533
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCN(CCn3cccn3)CC2)N1
InChIInChI=1S/C14H21N5O2/c20-13-3-2-12(16-13)14(21)18-9-6-17(7-10-18)8-11-19-5-1-4-15-19/h1,4-5,12H,2-3,6-11H2,(H,16,20)
InChIKeySBYWPQJELVASEK-UHFFFAOYSA-N
XLogP-0.69
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 90561459
5-[4-[2-(4-chloropyrazol-1-yl)ethyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 137343436
5-(4-ethylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110689654
5-oxo-N-(3-pyrazol-1-ylpropyl)pyrrolidine-2-carboxamide
CID 71896956
5-(3-pyrazol-1-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 126900088
2-pyrazol-1-yl-1-[4-(2-pyrazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90508652
(5R)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 45116190
(2R)-5-oxo-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]pyrrolidine-2-carboxamide
CID 94820968
5-(4-butanoylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110799961
N-ethyl-4-(5-oxopyrrolidine-2-carbonyl)piperazine-1-carboxamide
CID 146126018
(5R)-5-[4-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 95235512
5-[4-[(4-butylphenyl)methyl]-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 138808036

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one (CID 90508533) is 5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is O=C1CCC(C(=O)N2CCN(CCn3cccn3)CC2)N1.
What is the InChIKey of 5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is SBYWPQJELVASEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c20-13-3-2-12(16-13)14(21)18-9-6-17(7-10-18)8-11-19-5-1-4-15-19/h1,4-5,12H,2-3,6-11H2,(H,16,20).
What are the key properties of 5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one?
5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 291.35 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-pyrazol-1-ylethyl)piperazine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 90508533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).