4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine

C23H30N8 — CID 121390915

IUPAC4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCCC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H30N8/c1-3-20(4-2)30-16-19(14-26-30)23-22-7-8-24-31(22)17-21(27-23)18-13-25-29(15-18)12-11-28-9-5-6-10-28/h7-8,13-17,20H,3-6,9-12H2,1-2H3
InChIKeyZMGDLXDDHGOYDT-UHFFFAOYSA-N
MW418.55 g/mol
LogP3.91
Rot. Bonds8

About 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine

4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 121390915) has the molecular formula C23H30N8 and a molecular weight of 418.55 g/mol. Its IUPAC name is 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
PubChem CID121390915
Molecular FormulaC23H30N8
Molecular Weight418.55 g/mol
Exact Mass418.26
IUPAC Name4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCCC4)c3)cn3nccc23)cn1
InChIInChI=1S/C23H30N8/c1-3-20(4-2)30-16-19(14-26-30)23-22-7-8-24-31(22)17-21(27-23)18-13-25-29(15-18)12-11-28-9-5-6-10-28/h7-8,13-17,20H,3-6,9-12H2,1-2H3
InChIKeyZMGDLXDDHGOYDT-UHFFFAOYSA-N
XLogP3.91
TPSA69.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (CID 121390915) is 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CCCC4)c3)cn3nccc23)cn1.
What is the InChIKey of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is ZMGDLXDDHGOYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8/c1-3-20(4-2)30-16-19(14-26-30)23-22-7-8-24-31(22)17-21(27-23)18-13-25-29(15-18)12-11-28-9-5-6-10-28/h7-8,13-17,20H,3-6,9-12H2,1-2H3.
What are the key properties of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 418.55 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121390915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).