3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol

C21H25N7O2 — CID 166729958

About 3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol

3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol (PubChem CID 166729958) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol.

Molecular Properties

• Compound Name: 3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol
• PubChem CID: 166729958
• Molecular Formula: C21H25N7O2
• Molecular Weight: 407.48 g/mol
• Exact Mass: 407.21
• IUPAC Name: 3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol
• SMILES: CC[C@H](C1CC1)n1cc(-c2nc(-c3cnn(CCC(O)O)c3)cn3nccc23)cn1
• InChI: InChI=1S/C21H25N7O2/c1-2-18(14-3-4-14)27-12-16(10-24-27)21-19-5-7-22-28(19)13-17(25-21)15-9-23-26(11-15)8-6-20(29)30/h5,7,9-14,18,20,29-30H,2-4,6,8H2,1H3/t18-/m1/s1
• InChIKey: JPEKRHIQPODEEM-GOSISDBHSA-N
• XLogP: 2.52
• TPSA: 106.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.48
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol?

The IUPAC name of 3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol (CID 166729958) is 3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol.

What is the SMILES notation for 3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol?

The canonical SMILES for 3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol is CC[C@H](C1CC1)n1cc(-c2nc(-c3cnn(CCC(O)O)c3)cn3nccc23)cn1.

What is the InChIKey of 3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol?

The InChIKey is JPEKRHIQPODEEM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-2-18(14-3-4-14)27-12-16(10-24-27)21-19-5-7-22-28(19)13-17(25-21)15-9-23-26(11-15)8-6-20(29)30/h5,7,9-14,18,20,29-30H,2-4,6,8H2,1H3/t18-/m1/s1.

What are the key properties of 3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol?

3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol has a molecular weight of 407.48 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[1-[(1R)-1-cyclopropylpropyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]propane-1,1-diol is sourced from PubChem (CID 166729958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).