[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone

C17H18N6O2 — CID 124990692

IUPAC[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESCc1cn[nH]c1[C@@H]1COCCN1C(=O)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C17H18N6O2/c1-12-8-18-21-16(12)15-9-25-6-5-23(15)17(24)13-3-2-4-14(7-13)22-10-19-20-11-22/h2-4,7-8,10-11,15H,5-6,9H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyPDRIJELQHQKAIR-HNNXBMFYSA-N
MW338.37 g/mol
LogP1.51
Rot. Bonds3

About [(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone

[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone (PubChem CID 124990692) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is [(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
PubChem CID124990692
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
SMILESCc1cn[nH]c1[C@@H]1COCCN1C(=O)c1cccc(-n2cnnc2)c1
InChIInChI=1S/C17H18N6O2/c1-12-8-18-21-16(12)15-9-25-6-5-23(15)17(24)13-3-2-4-14(7-13)22-10-19-20-11-22/h2-4,7-8,10-11,15H,5-6,9H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyPDRIJELQHQKAIR-HNNXBMFYSA-N
XLogP1.51
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R)-3-(1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124955150
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110132433
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110132430
1H-indol-2-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124988103
[(2R)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 125018773
(5-methylpyrazin-2-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124972296
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124963161
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-pyrimidin-4-ylmethanone
CID 110132428
[(3S)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
CID 124954435
[3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 110132537
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 124972211
[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 97138582

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone (CID 124990692) is [(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone is Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1cccc(-n2cnnc2)c1.
What is the InChIKey of [(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
The InChIKey is PDRIJELQHQKAIR-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-12-8-18-21-16(12)15-9-25-6-5-23(15)17(24)13-3-2-4-14(7-13)22-10-19-20-11-22/h2-4,7-8,10-11,15H,5-6,9H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of [(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone?
[(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone has a molecular weight of 338.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(4-methyl-1H-pyrazol-5-yl)morpholin-4-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone is sourced from PubChem (CID 124990692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).