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

C21H27N7O — CID 121391105

IUPAC(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CC)c3)cn3nccc23)cn1
InChIInChI=1S/C21H27N7O/c1-4-17(5-2)27-12-16(10-24-27)21-20-7-8-22-28(20)14-19(25-21)15-9-23-26(11-15)13-18(29)6-3/h7-12,14,17-18,29H,4-6,13H2,1-3H3/t18-/m0/s1
InChIKeyAMTYSNROYXSBLL-SFHVURJKSA-N
MW393.50 g/mol
LogP3.59
Rot. Bonds8

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

(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol (PubChem CID 121391105) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
PubChem CID121391105
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CC)c3)cn3nccc23)cn1
InChIInChI=1S/C21H27N7O/c1-4-17(5-2)27-12-16(10-24-27)21-20-7-8-22-28(20)14-19(25-21)15-9-23-26(11-15)13-18(29)6-3/h7-12,14,17-18,29H,4-6,13H2,1-3H3/t18-/m0/s1
InChIKeyAMTYSNROYXSBLL-SFHVURJKSA-N
XLogP3.59
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol?
The IUPAC name of (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol (CID 121391105) is (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol.
What is the SMILES notation for (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol?
The canonical SMILES for (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol is CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](O)CC)c3)cn3nccc23)cn1.
What is the InChIKey of (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol?
The InChIKey is AMTYSNROYXSBLL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H27N7O/c1-4-17(5-2)27-12-16(10-24-27)21-20-7-8-22-28(20)14-19(25-21)15-9-23-26(11-15)13-18(29)6-3/h7-12,14,17-18,29H,4-6,13H2,1-3H3/t18-/m0/s1.
What are the key properties of (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol?
(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol has a molecular weight of 393.50 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol is sourced from PubChem (CID 121391105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).