1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone

C26H33N9O — CID 121391029

IUPAC1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)CN5CCCC5)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C26H33N9O/c1-3-21(4-2)33-14-20(12-29-33)26-24-7-8-27-35(24)17-23(30-26)19-11-28-34(13-19)22-15-32(16-22)25(36)18-31-9-5-6-10-31/h7-8,11-14,17,21-22H,3-6,9-10,15-16,18H2,1-2H3
InChIKeyPYPRSGPYVFWABX-UHFFFAOYSA-N
MW487.61 g/mol
LogP3.30
Rot. Bonds8

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

1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 121391029) has the molecular formula C26H33N9O and a molecular weight of 487.61 g/mol. Its IUPAC name is 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID121391029
Molecular FormulaC26H33N9O
Molecular Weight487.61 g/mol
Exact Mass487.28
IUPAC Name1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)CN5CCCC5)C4)c3)cn3nccc23)cn1
InChIInChI=1S/C26H33N9O/c1-3-21(4-2)33-14-20(12-29-33)26-24-7-8-27-35(24)17-23(30-26)19-11-28-34(13-19)22-15-32(16-22)25(36)18-31-9-5-6-10-31/h7-8,11-14,17,21-22H,3-6,9-10,15-16,18H2,1-2H3
InChIKeyPYPRSGPYVFWABX-UHFFFAOYSA-N
XLogP3.30
TPSA89.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone (CID 121391029) is 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone is CCC(CC)n1cc(-c2nc(-c3cnn(C4CN(C(=O)CN5CCCC5)C4)c3)cn3nccc23)cn1.
What is the InChIKey of 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is PYPRSGPYVFWABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N9O/c1-3-21(4-2)33-14-20(12-29-33)26-24-7-8-27-35(24)17-23(30-26)19-11-28-34(13-19)22-15-32(16-22)25(36)18-31-9-5-6-10-31/h7-8,11-14,17,21-22H,3-6,9-10,15-16,18H2,1-2H3.
What are the key properties of 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone?
1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 487.61 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]azetidin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 121391029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).