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

C20H25N7O2 — CID 121378298

IUPAC(2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C20H25N7O2/c1-3-16(4-2)26-10-15(8-23-26)20-19-5-6-21-27(19)12-18(24-20)14-7-22-25(9-14)11-17(29)13-28/h5-10,12,16-17,28-29H,3-4,11,13H2,1-2H3/t17-/m0/s1
InChIKeyJTBCMVGGBDUBFT-KRWDZBQOSA-N
MW395.47 g/mol
LogP2.17
Rot. Bonds8

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

(2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (PubChem CID 121378298) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is (2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
PubChem CID121378298
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name(2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](O)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C20H25N7O2/c1-3-16(4-2)26-10-15(8-23-26)20-19-5-6-21-27(19)12-18(24-20)14-7-22-25(9-14)11-17(29)13-28/h5-10,12,16-17,28-29H,3-4,11,13H2,1-2H3/t17-/m0/s1
InChIKeyJTBCMVGGBDUBFT-KRWDZBQOSA-N
XLogP2.17
TPSA106.29 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The IUPAC name of (2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol (CID 121378298) is (2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol.
What is the SMILES notation for (2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The canonical SMILES for (2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is CCC(CC)n1cc(-c2nc(-c3cnn(C[C@H](O)CO)c3)cn3nccc23)cn1.
What is the InChIKey of (2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
The InChIKey is JTBCMVGGBDUBFT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-3-16(4-2)26-10-15(8-23-26)20-19-5-6-21-27(19)12-18(24-20)14-7-22-25(9-14)11-17(29)13-28/h5-10,12,16-17,28-29H,3-4,11,13H2,1-2H3/t17-/m0/s1.
What are the key properties of (2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol?
(2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol has a molecular weight of 395.47 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,2-diol is sourced from PubChem (CID 121378298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).