6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C24H32N8O — CID 121390916

IUPAC6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN4CC[C@H](OC)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C24H32N8O/c1-4-20(5-2)31-15-19(13-27-31)24-23-6-8-25-32(23)17-22(28-24)18-12-26-30(14-18)11-10-29-9-7-21(16-29)33-3/h6,8,12-15,17,20-21H,4-5,7,9-11,16H2,1-3H3/t21-/m0/s1
InChIKeyKEBMLZWSFJAEJQ-NRFANRHFSA-N
MW448.58 g/mol
LogP3.54
Rot. Bonds9

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

6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 121390916) has the molecular formula C24H32N8O and a molecular weight of 448.58 g/mol. Its IUPAC name is 6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID121390916
Molecular FormulaC24H32N8O
Molecular Weight448.58 g/mol
Exact Mass448.27
IUPAC Name6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CCN4CC[C@H](OC)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C24H32N8O/c1-4-20(5-2)31-15-19(13-27-31)24-23-6-8-25-32(23)17-22(28-24)18-12-26-30(14-18)11-10-29-9-7-21(16-29)33-3/h6,8,12-15,17,20-21H,4-5,7,9-11,16H2,1-3H3/t21-/m0/s1
InChIKeyKEBMLZWSFJAEJQ-NRFANRHFSA-N
XLogP3.54
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.58
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 121390916) is 6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is CCC(CC)n1cc(-c2nc(-c3cnn(CCN4CC[C@H](OC)C4)c3)cn3nccc23)cn1.
What is the InChIKey of 6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is KEBMLZWSFJAEJQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N8O/c1-4-20(5-2)31-15-19(13-27-31)24-23-6-8-25-32(23)17-22(28-24)18-12-26-30(14-18)11-10-29-9-7-21(16-29)33-3/h6,8,12-15,17,20-21H,4-5,7,9-11,16H2,1-3H3/t21-/m0/s1.
What are the key properties of 6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 448.58 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-[(3S)-3-methoxypyrrolidin-1-yl]ethyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 121390916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).