(5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one

C10H15N3O — CID 124575807

IUPAC(5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1c(C[C@H]2CCC(=O)N2)cnn1C
InChIInChI=1S/C10H15N3O/c1-7-8(6-11-13(7)2)5-9-3-4-10(14)12-9/h6,9H,3-5H2,1-2H3,(H,12,14)/t9-/m1/s1
InChIKeySUXXZRVEWSUGHV-SECBINFHSA-N
MW193.25 g/mol
LogP0.55
Rot. Bonds2

About (5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one

(5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one (PubChem CID 124575807) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
PubChem CID124575807
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
SMILESCc1c(C[C@H]2CCC(=O)N2)cnn1C
InChIInChI=1S/C10H15N3O/c1-7-8(6-11-13(7)2)5-9-3-4-10(14)12-9/h6,9H,3-5H2,1-2H3,(H,12,14)/t9-/m1/s1
InChIKeySUXXZRVEWSUGHV-SECBINFHSA-N
XLogP0.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one (CID 124575807) is (5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one is Cc1c(C[C@H]2CCC(=O)N2)cnn1C.
What is the InChIKey of (5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
The InChIKey is SUXXZRVEWSUGHV-SECBINFHSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-8(6-11-13(7)2)5-9-3-4-10(14)12-9/h6,9H,3-5H2,1-2H3,(H,12,14)/t9-/m1/s1.
What are the key properties of (5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one?
(5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one has a molecular weight of 193.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 124575807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).