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

C21H27N7O — CID 121391023

IUPAC(2R,3S)-3-[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@@H](C)[C@@H](C)O)c3)cn3nccc23)cn1
InChIInChI=1S/C21H27N7O/c1-5-18(6-2)27-12-17(10-24-27)21-20-7-8-22-28(20)13-19(25-21)16-9-23-26(11-16)14(3)15(4)29/h7-15,18,29H,5-6H2,1-4H3/t14-,15+/m0/s1
InChIKeyJPDLPQUDPUKPTI-LSDHHAIUSA-N
MW393.50 g/mol
LogP3.76
Rot. Bonds7

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

(2R,3S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol (PubChem CID 121391023) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is (2R,3S)-3-[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(2R,3S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol
PubChem CID121391023
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name(2R,3S)-3-[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@@H](C)[C@@H](C)O)c3)cn3nccc23)cn1
InChIInChI=1S/C21H27N7O/c1-5-18(6-2)27-12-17(10-24-27)21-20-7-8-22-28(20)13-19(25-21)16-9-23-26(11-16)14(3)15(4)29/h7-15,18,29H,5-6H2,1-4H3/t14-,15+/m0/s1
InChIKeyJPDLPQUDPUKPTI-LSDHHAIUSA-N
XLogP3.76
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(Cyanomethyl)-3-(4-(6-(1-methylpyrazol-4-yl)pyrazolo(1,5-a)pyrazin-4-yl)pyrazol-1-yl)cyclobutane-1-carbonitrile
CID 130339268
1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
CID 67469574
1-[7-[[2-(2,5-Difluorophenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
CID 67470405
US10144738, Example 7
CID 130339265
US10144738, Example 11
CID 130339270
US10144738, Example 15
CID 130339280
2-[1-Ethyl-3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 130380621
2-methyl-1-(4-(5-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-pyrazol-1-yl)propan-2-ol
CID 71254249
(2R)-1-[7-[[2-(2-fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
CID 137633948
(2R)-1-[7-[[2-(2-fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
CID 137652574
(2S)-1-[7-[[2-(2-fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-1-yl]propan-2-ol
CID 137652663
(2S)-1-[7-[[2-(2-fluoro-5-methylphenyl)-5-methyl-4-pyridinyl]amino]pyrazolo[4,3-b]pyridin-2-yl]propan-2-ol
CID 137653247

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[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 (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) is (2R,3S)-3-[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 (2R,3S)-3-[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 (2R,3S)-3-[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@@H](C)[C@@H](C)O)c3)cn3nccc23)cn1.
What is the InChIKey of (2R,3S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol?
The InChIKey is JPDLPQUDPUKPTI-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H27N7O/c1-5-18(6-2)27-12-17(10-24-27)21-20-7-8-22-28(20)13-19(25-21)16-9-23-26(11-16)14(3)15(4)29/h7-15,18,29H,5-6H2,1-4H3/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]butan-2-ol?
(2R,3S)-3-[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 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[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 121391023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).