4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine

C20H22FN5O — CID 127251011

IUPAC4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine
SMILESCc1c(CN2CCOC(c3cncc(-c4ccccc4F)n3)C2)cnn1C
InChIInChI=1S/C20H22FN5O/c1-14-15(9-23-25(14)2)12-26-7-8-27-20(13-26)19-11-22-10-18(24-19)16-5-3-4-6-17(16)21/h3-6,9-11,20H,7-8,12-13H2,1-2H3
InChIKeyQSGYLZSBVWBFAU-UHFFFAOYSA-N
MW367.43 g/mol
LogP2.90
Rot. Bonds4

About 4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine

4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine (PubChem CID 127251011) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine
PubChem CID127251011
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine
SMILESCc1c(CN2CCOC(c3cncc(-c4ccccc4F)n3)C2)cnn1C
InChIInChI=1S/C20H22FN5O/c1-14-15(9-23-25(14)2)12-26-7-8-27-20(13-26)19-11-22-10-18(24-19)16-5-3-4-6-17(16)21/h3-6,9-11,20H,7-8,12-13H2,1-2H3
InChIKeyQSGYLZSBVWBFAU-UHFFFAOYSA-N
XLogP2.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine?
The IUPAC name of 4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine (CID 127251011) is 4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine.
What is the SMILES notation for 4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine?
The canonical SMILES for 4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine is Cc1c(CN2CCOC(c3cncc(-c4ccccc4F)n3)C2)cnn1C.
What is the InChIKey of 4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine?
The InChIKey is QSGYLZSBVWBFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-14-15(9-23-25(14)2)12-26-7-8-27-20(13-26)19-11-22-10-18(24-19)16-5-3-4-6-17(16)21/h3-6,9-11,20H,7-8,12-13H2,1-2H3.
What are the key properties of 4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine?
4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine has a molecular weight of 367.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholine is sourced from PubChem (CID 127251011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).