1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one

C15H22N4O2 — CID 121279761

IUPAC1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one
SMILESCC(C)c1cc(C(=O)N2CCC(N3CCCC3=O)C2)n[nH]1
InChIInChI=1S/C15H22N4O2/c1-10(2)12-8-13(17-16-12)15(21)18-7-5-11(9-18)19-6-3-4-14(19)20/h8,10-11H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyRTXPPAHZEFCKLJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.37
Rot. Bonds3

About 1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one

1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one (PubChem CID 121279761) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one
PubChem CID121279761
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one
SMILESCC(C)c1cc(C(=O)N2CCC(N3CCCC3=O)C2)n[nH]1
InChIInChI=1S/C15H22N4O2/c1-10(2)12-8-13(17-16-12)15(21)18-7-5-11(9-18)19-6-3-4-14(19)20/h8,10-11H,3-7,9H2,1-2H3,(H,16,17)
InChIKeyRTXPPAHZEFCKLJ-UHFFFAOYSA-N
XLogP1.37
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one (CID 121279761) is 1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one is CC(C)c1cc(C(=O)N2CCC(N3CCCC3=O)C2)n[nH]1.
What is the InChIKey of 1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one?
The InChIKey is RTXPPAHZEFCKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(2)12-8-13(17-16-12)15(21)18-7-5-11(9-18)19-6-3-4-14(19)20/h8,10-11H,3-7,9H2,1-2H3,(H,16,17).
What are the key properties of 1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one?
1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one has a molecular weight of 290.37 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 121279761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).