(1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol

C23H22N4O — CID 31125679

IUPAC(1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol
SMILESCc1cnc(C)c(-c2cccc(-c3ccn(C[C@H](O)c4ccccc4)n3)c2)n1
InChIInChI=1S/C23H22N4O/c1-16-14-24-17(2)23(25-16)20-10-6-9-19(13-20)21-11-12-27(26-21)15-22(28)18-7-4-3-5-8-18/h3-14,22,28H,15H2,1-2H3/t22-/m0/s1
InChIKeyINLONFDQHMOOJQ-QFIPXVFZSA-N
MW370.46 g/mol
LogP4.36
Rot. Bonds5

About (1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol

(1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol (PubChem CID 31125679) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is (1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol
PubChem CID31125679
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name(1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol
SMILESCc1cnc(C)c(-c2cccc(-c3ccn(C[C@H](O)c4ccccc4)n3)c2)n1
InChIInChI=1S/C23H22N4O/c1-16-14-24-17(2)23(25-16)20-10-6-9-19(13-20)21-11-12-27(26-21)15-22(28)18-7-4-3-5-8-18/h3-14,22,28H,15H2,1-2H3/t22-/m0/s1
InChIKeyINLONFDQHMOOJQ-QFIPXVFZSA-N
XLogP4.36
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol (CID 31125679) is (1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol is Cc1cnc(C)c(-c2cccc(-c3ccn(C[C@H](O)c4ccccc4)n3)c2)n1.
What is the InChIKey of (1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol?
The InChIKey is INLONFDQHMOOJQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22N4O/c1-16-14-24-17(2)23(25-16)20-10-6-9-19(13-20)21-11-12-27(26-21)15-22(28)18-7-4-3-5-8-18/h3-14,22,28H,15H2,1-2H3/t22-/m0/s1.
What are the key properties of (1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol?
(1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol has a molecular weight of 370.46 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[3-[3-(3,6-dimethylpyrazin-2-yl)phenyl]pyrazol-1-yl]-1-phenylethanol is sourced from PubChem (CID 31125679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).