1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

C17H23N5O — CID 110102411

IUPAC1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cnc(-c3c(C)nn(C)c3C)cn2)C1
InChIInChI=1S/C17H23N5O/c1-11-17(12(2)21(4)20-11)16-9-18-15(8-19-16)7-14-5-6-22(10-14)13(3)23/h8-9,14H,5-7,10H2,1-4H3
InChIKeyAHBUPBQONDYCSK-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.90
Rot. Bonds3

About 1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110102411) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID110102411
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2cnc(-c3c(C)nn(C)c3C)cn2)C1
InChIInChI=1S/C17H23N5O/c1-11-17(12(2)21(4)20-11)16-9-18-15(8-19-16)7-14-5-6-22(10-14)13(3)23/h8-9,14H,5-7,10H2,1-4H3
InChIKeyAHBUPBQONDYCSK-UHFFFAOYSA-N
XLogP1.90
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 110102411) is 1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(Cc2cnc(-c3c(C)nn(C)c3C)cn2)C1.
What is the InChIKey of 1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is AHBUPBQONDYCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-17(12(2)21(4)20-11)16-9-18-15(8-19-16)7-14-5-6-22(10-14)13(3)23/h8-9,14H,5-7,10H2,1-4H3.
What are the key properties of 1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 313.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110102411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).