4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol

C21H27N7O2 — CID 121378295

IUPAC4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CCO)c3)cn3nccc23)cn1
InChIInChI=1S/C21H27N7O2/c1-3-17(4-2)27-12-16(10-24-27)21-20-5-7-22-28(20)14-19(25-21)15-9-23-26(11-15)13-18(30)6-8-29/h5,7,9-12,14,17-18,29-30H,3-4,6,8,13H2,1-2H3
InChIKeyBIQLFOVHGXFGRI-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.56
Rot. Bonds9

About 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol

4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol (PubChem CID 121378295) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol.

Molecular Properties

Compound Name4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol
PubChem CID121378295
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CCO)c3)cn3nccc23)cn1
InChIInChI=1S/C21H27N7O2/c1-3-17(4-2)27-12-16(10-24-27)21-20-5-7-22-28(20)14-19(25-21)15-9-23-26(11-15)13-18(30)6-8-29/h5,7,9-12,14,17-18,29-30H,3-4,6,8,13H2,1-2H3
InChIKeyBIQLFOVHGXFGRI-UHFFFAOYSA-N
XLogP2.56
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol?
The IUPAC name of 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol (CID 121378295) is 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol.
What is the SMILES notation for 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol?
The canonical SMILES for 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol is CCC(CC)n1cc(-c2nc(-c3cnn(CC(O)CCO)c3)cn3nccc23)cn1.
What is the InChIKey of 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol?
The InChIKey is BIQLFOVHGXFGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-3-17(4-2)27-12-16(10-24-27)21-20-5-7-22-28(20)14-19(25-21)15-9-23-26(11-15)13-18(30)6-8-29/h5,7,9-12,14,17-18,29-30H,3-4,6,8,13H2,1-2H3.
What are the key properties of 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol?
4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol has a molecular weight of 409.49 g/mol, XLogP of 2.56, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butane-1,3-diol is sourced from PubChem (CID 121378295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).