1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol

C23H22FN5O — CID 118598339

IUPAC1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2cc(-c3cnc(N)cn3)ccc2-c2cccc(F)c2)cn1
InChIInChI=1S/C23H22FN5O/c1-23(2,30)14-29-13-17(10-28-29)20-9-16(21-11-27-22(25)12-26-21)6-7-19(20)15-4-3-5-18(24)8-15/h3-13,30H,14H2,1-2H3,(H2,25,27)
InChIKeyVZNCMJYELHIVQD-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.17
Rot. Bonds5

About 1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 118598339) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID118598339
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2cc(-c3cnc(N)cn3)ccc2-c2cccc(F)c2)cn1
InChIInChI=1S/C23H22FN5O/c1-23(2,30)14-29-13-17(10-28-29)20-9-16(21-11-27-22(25)12-26-21)6-7-19(20)15-4-3-5-18(24)8-15/h3-13,30H,14H2,1-2H3,(H2,25,27)
InChIKeyVZNCMJYELHIVQD-UHFFFAOYSA-N
XLogP4.17
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 118598339) is 1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(-c2cc(-c3cnc(N)cn3)ccc2-c2cccc(F)c2)cn1.
What is the InChIKey of 1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is VZNCMJYELHIVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-23(2,30)14-29-13-17(10-28-29)20-9-16(21-11-27-22(25)12-26-21)6-7-19(20)15-4-3-5-18(24)8-15/h3-13,30H,14H2,1-2H3,(H2,25,27).
What are the key properties of 1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 403.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(5-aminopyrazin-2-yl)-2-(3-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 118598339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).