1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

C17H23N5O — CID 118739990

IUPAC1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCCCn1nccc1-c1cnc(CC2CCN(C(C)=O)C2)cn1
InChIInChI=1S/C17H23N5O/c1-3-7-22-17(4-6-20-22)16-11-18-15(10-19-16)9-14-5-8-21(12-14)13(2)23/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3
InChIKeySGQQVBYXQJOXNF-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.16
Rot. Bonds5

About 1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone

1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (PubChem CID 118739990) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
PubChem CID118739990
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
SMILESCCCn1nccc1-c1cnc(CC2CCN(C(C)=O)C2)cn1
InChIInChI=1S/C17H23N5O/c1-3-7-22-17(4-6-20-22)16-11-18-15(10-19-16)9-14-5-8-21(12-14)13(2)23/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3
InChIKeySGQQVBYXQJOXNF-UHFFFAOYSA-N
XLogP2.16
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone (CID 118739990) is 1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is CCCn1nccc1-c1cnc(CC2CCN(C(C)=O)C2)cn1.
What is the InChIKey of 1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is SGQQVBYXQJOXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-3-7-22-17(4-6-20-22)16-11-18-15(10-19-16)9-14-5-8-21(12-14)13(2)23/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3.
What are the key properties of 1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone?
1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 313.41 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(2-propylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118739990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).