1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol

C20H26N8O — CID 121378420

IUPAC1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CN)c3)cn3nccc23)cn1
InChIInChI=1S/C20H26N8O/c1-3-16(4-2)27-11-15(9-24-27)20-19-5-6-22-28(19)13-18(25-20)14-8-23-26(10-14)12-17(29)7-21/h5-6,8-11,13,16-17,29H,3-4,7,12,21H2,1-2H3
InChIKeySDNGLJCJUQMLCR-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.14
Rot. Bonds8

About 1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol

1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol (PubChem CID 121378420) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
PubChem CID121378420
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CN)c3)cn3nccc23)cn1
InChIInChI=1S/C20H26N8O/c1-3-16(4-2)27-11-15(9-24-27)20-19-5-6-22-28(19)13-18(25-20)14-8-23-26(10-14)12-17(29)7-21/h5-6,8-11,13,16-17,29H,3-4,7,12,21H2,1-2H3
InChIKeySDNGLJCJUQMLCR-UHFFFAOYSA-N
XLogP2.14
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol (CID 121378420) is 1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol is CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CN)c3)cn3nccc23)cn1.
What is the InChIKey of 1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
The InChIKey is SDNGLJCJUQMLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8O/c1-3-16(4-2)27-11-15(9-24-27)20-19-5-6-22-28(19)13-18(25-20)14-8-23-26(10-14)12-17(29)7-21/h5-6,8-11,13,16-17,29H,3-4,7,12,21H2,1-2H3.
What are the key properties of 1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol?
1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol has a molecular weight of 394.48 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 121378420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).