1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one

C10H16N4O — CID 63310672

IUPAC1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one
SMILESNc1ccn(CCCN2CCCC2=O)n1
InChIInChI=1S/C10H16N4O/c11-9-4-8-14(12-9)7-2-6-13-5-1-3-10(13)15/h4,8H,1-3,5-7H2,(H2,11,12)
InChIKeyIRPVMZMRNBPAJN-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.48
Rot. Bonds4

About 1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one

1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one (PubChem CID 63310672) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one
PubChem CID63310672
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one
SMILESNc1ccn(CCCN2CCCC2=O)n1
InChIInChI=1S/C10H16N4O/c11-9-4-8-14(12-9)7-2-6-13-5-1-3-10(13)15/h4,8H,1-3,5-7H2,(H2,11,12)
InChIKeyIRPVMZMRNBPAJN-UHFFFAOYSA-N
XLogP0.48
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one (CID 63310672) is 1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one is Nc1ccn(CCCN2CCCC2=O)n1.
What is the InChIKey of 1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one?
The InChIKey is IRPVMZMRNBPAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-9-4-8-14(12-9)7-2-6-13-5-1-3-10(13)15/h4,8H,1-3,5-7H2,(H2,11,12).
What are the key properties of 1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one?
1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one has a molecular weight of 208.26 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-aminopyrazol-1-yl)propyl]pyrrolidin-2-one is sourced from PubChem (CID 63310672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).