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

C20H25N7O2 — CID 121378438

IUPAC2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol
SMILESCCC[C@H](C)n1cc(-c2nc(-c3cnn(C(CO)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C20H25N7O2/c1-3-4-14(2)25-10-16(8-22-25)20-19-5-6-21-27(19)11-18(24-20)15-7-23-26(9-15)17(12-28)13-29/h5-11,14,17,28-29H,3-4,12-13H2,1-2H3/t14-/m0/s1
InChIKeyPFHQZHDUKYAXNC-AWEZNQCLSA-N
MW395.47 g/mol
LogP2.34
Rot. Bonds8

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

2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol (PubChem CID 121378438) has the molecular formula C20H25N7O2 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol.

Molecular Properties

Compound Name2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol
PubChem CID121378438
Molecular FormulaC20H25N7O2
Molecular Weight395.47 g/mol
Exact Mass395.21
IUPAC Name2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol
SMILESCCC[C@H](C)n1cc(-c2nc(-c3cnn(C(CO)CO)c3)cn3nccc23)cn1
InChIInChI=1S/C20H25N7O2/c1-3-4-14(2)25-10-16(8-22-25)20-19-5-6-21-27(19)11-18(24-20)15-7-23-26(9-15)17(12-28)13-29/h5-11,14,17,28-29H,3-4,12-13H2,1-2H3/t14-/m0/s1
InChIKeyPFHQZHDUKYAXNC-AWEZNQCLSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol?
The IUPAC name of 2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol (CID 121378438) is 2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol.
What is the SMILES notation for 2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol?
The canonical SMILES for 2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol is CCC[C@H](C)n1cc(-c2nc(-c3cnn(C(CO)CO)c3)cn3nccc23)cn1.
What is the InChIKey of 2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol?
The InChIKey is PFHQZHDUKYAXNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N7O2/c1-3-4-14(2)25-10-16(8-22-25)20-19-5-6-21-27(19)11-18(24-20)15-7-23-26(9-15)17(12-28)13-29/h5-11,14,17,28-29H,3-4,12-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol?
2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol has a molecular weight of 395.47 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[1-[(2S)-pentan-2-yl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,3-diol is sourced from PubChem (CID 121378438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).