1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol

C17H15F3N4O — CID 45203073

IUPAC1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol
SMILESCc1nccnc1-c1cccc(-c2ccn(CC(O)C(F)(F)F)n2)c1
InChIInChI=1S/C17H15F3N4O/c1-11-16(22-7-6-21-11)13-4-2-3-12(9-13)14-5-8-24(23-14)10-15(25)17(18,19)20/h2-9,15,25H,10H2,1H3
InChIKeyADKSCVRACYMBBC-UHFFFAOYSA-N
MW348.33 g/mol
LogP3.24
Rot. Bonds4

About 1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol

1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol (PubChem CID 45203073) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol
PubChem CID45203073
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol
SMILESCc1nccnc1-c1cccc(-c2ccn(CC(O)C(F)(F)F)n2)c1
InChIInChI=1S/C17H15F3N4O/c1-11-16(22-7-6-21-11)13-4-2-3-12(9-13)14-5-8-24(23-14)10-15(25)17(18,19)20/h2-9,15,25H,10H2,1H3
InChIKeyADKSCVRACYMBBC-UHFFFAOYSA-N
XLogP3.24
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol (CID 45203073) is 1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol is Cc1nccnc1-c1cccc(-c2ccn(CC(O)C(F)(F)F)n2)c1.
What is the InChIKey of 1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol?
The InChIKey is ADKSCVRACYMBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-11-16(22-7-6-21-11)13-4-2-3-12(9-13)14-5-8-24(23-14)10-15(25)17(18,19)20/h2-9,15,25H,10H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol has a molecular weight of 348.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[3-[3-(3-methylpyrazin-2-yl)phenyl]pyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 45203073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).