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

C22H28N8 — CID 121390981

IUPAC4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@H]4CCCN4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8/c1-3-19(4-2)29-13-17(11-26-29)22-21-7-9-24-30(21)15-20(27-22)16-10-25-28(12-16)14-18-6-5-8-23-18/h7,9-13,15,18-19,23H,3-6,8,14H2,1-2H3/t18-/m1/s1
InChIKeyPEALVEWPZOQWRK-GOSISDBHSA-N
MW404.52 g/mol
LogP3.57
Rot. Bonds7

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

4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 121390981) has the molecular formula C22H28N8 and a molecular weight of 404.52 g/mol. Its IUPAC name is 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
PubChem CID121390981
Molecular FormulaC22H28N8
Molecular Weight404.52 g/mol
Exact Mass404.24
IUPAC Name4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@H]4CCCN4)c3)cn3nccc23)cn1
InChIInChI=1S/C22H28N8/c1-3-19(4-2)29-13-17(11-26-29)22-21-7-9-24-30(21)15-20(27-22)16-10-25-28(12-16)14-18-6-5-8-23-18/h7,9-13,15,18-19,23H,3-6,8,14H2,1-2H3/t18-/m1/s1
InChIKeyPEALVEWPZOQWRK-GOSISDBHSA-N
XLogP3.57
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
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-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (CID 121390981) is 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H]4CCCN4)c3)cn3nccc23)cn1.
What is the InChIKey of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is PEALVEWPZOQWRK-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N8/c1-3-19(4-2)29-13-17(11-26-29)22-21-7-9-24-30(21)15-20(27-22)16-10-25-28(12-16)14-18-6-5-8-23-18/h7,9-13,15,18-19,23H,3-6,8,14H2,1-2H3/t18-/m1/s1.
What are the key properties of 4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
4-(1-pentan-3-ylpyrazol-4-yl)-6-[1-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 404.52 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 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-[[(2R)-pyrrolidin-2-yl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121390981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).