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

C24H24N6O3 — CID 71566118

IUPAC[(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-n1cccn1
InChIInChI=1S/C24H24N6O3/c1-32-23-8-7-18(16-22(23)29-12-4-9-25-29)15-19-17-33-14-13-28(19)24(31)20-5-2-3-6-21(20)30-26-10-11-27-30/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1
InChIKeyHZTIXYMNAITACJ-LJQANCHMSA-N
MW444.50 g/mol
LogP2.55
Rot. Bonds6

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

[(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 71566118) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is [(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID71566118
Molecular FormulaC24H24N6O3
Molecular Weight444.50 g/mol
Exact Mass444.19
IUPAC Name[(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESCOc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-n1cccn1
InChIInChI=1S/C24H24N6O3/c1-32-23-8-7-18(16-22(23)29-12-4-9-25-29)15-19-17-33-14-13-28(19)24(31)20-5-2-3-6-21(20)30-26-10-11-27-30/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1
InChIKeyHZTIXYMNAITACJ-LJQANCHMSA-N
XLogP2.55
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 71566118) is [(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-n1cccn1.
What is the InChIKey of [(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is HZTIXYMNAITACJ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-32-23-8-7-18(16-22(23)29-12-4-9-25-29)15-19-17-33-14-13-28(19)24(31)20-5-2-3-6-21(20)30-26-10-11-27-30/h2-12,16,19H,13-15,17H2,1H3/t19-/m1/s1.
What are the key properties of [(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 444.50 g/mol, XLogP of 2.55, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(4-methoxy-3-pyrazol-1-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 71566118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).