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

C20H26N8O — CID 121391064

IUPAC(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](N)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C20H26N8O/c1-3-17(4-2)27-10-15(8-24-27)20-19-5-6-22-28(19)12-18(25-20)14-7-23-26(9-14)11-16(21)13-29/h5-10,12,16-17,29H,3-4,11,13,21H2,1-2H3/t16-/m1/s1
InChIKeyIPKHOCAMRZYLHH-MRXNPFEDSA-N
MW394.48 g/mol
LogP2.14
Rot. Bonds8

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

(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol (PubChem CID 121391064) has the molecular formula C20H26N8O and a molecular weight of 394.48 g/mol. Its IUPAC name is (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
PubChem CID121391064
Molecular FormulaC20H26N8O
Molecular Weight394.48 g/mol
Exact Mass394.22
IUPAC Name(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](N)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C20H26N8O/c1-3-17(4-2)27-10-15(8-24-27)20-19-5-6-22-28(19)12-18(25-20)14-7-23-26(9-14)11-16(21)13-29/h5-10,12,16-17,29H,3-4,11,13,21H2,1-2H3/t16-/m1/s1
InChIKeyIPKHOCAMRZYLHH-MRXNPFEDSA-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

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

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Related Compounds

(2S)-1-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-2-ol
CID 121390932
(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
(2S)-2-(dimethylamino)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121378368
2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol
CID 121378497
methanol;3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-amine
CID 145095906
(2R)-3-[4-[4-[1-[(2S)-butan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 121390906
(2R,3S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
CID 121391023
6-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 121390926
6-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 121391046
3-[4-[4-[1-[(2R)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 166736532
3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
CID 121378427
[3-[2-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]ethylamino]cyclobutyl]methanol
CID 121391076

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol (CID 121391064) is (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol is CCC(CC)n1cc(-c2nc(-c3cnn(C[C@@H](N)CO)c3)cn3nccc23)cn1.
What is the InChIKey of (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol?
The InChIKey is IPKHOCAMRZYLHH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N8O/c1-3-17(4-2)27-10-15(8-24-27)20-19-5-6-22-28(19)12-18(25-20)14-7-23-26(9-14)11-16(21)13-29/h5-10,12,16-17,29H,3-4,11,13,21H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol?
(2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-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 (2R)-2-amino-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propan-1-ol is sourced from PubChem (CID 121391064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).