[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone

C23H22N6O2 — CID 71566116

IUPAC[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C23H22N6O2/c30-23(21-7-1-2-8-22(21)29-25-10-11-26-29)27-13-14-31-17-20(27)16-18-5-3-6-19(15-18)28-12-4-9-24-28/h1-12,15,20H,13-14,16-17H2/t20-/m1/s1
InChIKeyNSPDBKKKFMEMRB-HXUWFJFHSA-N
MW414.47 g/mol
LogP2.54
Rot. Bonds5

About [(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone

[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 71566116) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is [(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID71566116
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1ccccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2cccn2)c1
InChIInChI=1S/C23H22N6O2/c30-23(21-7-1-2-8-22(21)29-25-10-11-26-29)27-13-14-31-17-20(27)16-18-5-3-6-19(15-18)28-12-4-9-24-28/h1-12,15,20H,13-14,16-17H2/t20-/m1/s1
InChIKeyNSPDBKKKFMEMRB-HXUWFJFHSA-N
XLogP2.54
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 71566116) is [(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is O=C(c1ccccc1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2cccn2)c1.
What is the InChIKey of [(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is NSPDBKKKFMEMRB-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H22N6O2/c30-23(21-7-1-2-8-22(21)29-25-10-11-26-29)27-13-14-31-17-20(27)16-18-5-3-6-19(15-18)28-12-4-9-24-28/h1-12,15,20H,13-14,16-17H2/t20-/m1/s1.
What are the key properties of [(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 414.47 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 71566116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).