1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one

C14H22N4O — CID 51104533

IUPAC1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C14H22N4O/c19-14-2-1-7-18(14)11-10-17-8-4-12(5-9-17)13-3-6-15-16-13/h3,6,12H,1-2,4-5,7-11H2,(H,15,16)
InChIKeyCYALOPUDZUMDEV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.21
Rot. Bonds4

About 1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 51104533) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID51104533
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C14H22N4O/c19-14-2-1-7-18(14)11-10-17-8-4-12(5-9-17)13-3-6-15-16-13/h3,6,12H,1-2,4-5,7-11H2,(H,15,16)
InChIKeyCYALOPUDZUMDEV-UHFFFAOYSA-N
XLogP1.21
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one (CID 51104533) is 1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCN1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of 1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is CYALOPUDZUMDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14-2-1-7-18(14)11-10-17-8-4-12(5-9-17)13-3-6-15-16-13/h3,6,12H,1-2,4-5,7-11H2,(H,15,16).
What are the key properties of 1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 262.36 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 51104533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).