[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone

C18H21N7O2 — CID 42586969

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)C[C@H](C)O1
InChIInChI=1S/C18H21N7O2/c1-13-10-23(11-14(2)27-13)18(26)16-8-9-24(20-16)12-25-21-17(19-22-25)15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3/t13-,14+
InChIKeyYWJHINXYLVFFQZ-OKILXGFUSA-N
MW367.41 g/mol
LogP1.29
Rot. Bonds4

About [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone (PubChem CID 42586969) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
PubChem CID42586969
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)C[C@H](C)O1
InChIInChI=1S/C18H21N7O2/c1-13-10-23(11-14(2)27-13)18(26)16-8-9-24(20-16)12-25-21-17(19-22-25)15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3/t13-,14+
InChIKeyYWJHINXYLVFFQZ-OKILXGFUSA-N
XLogP1.29
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 19472612
N-(1-methylpiperidin-4-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269078
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 19472615
[1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 35327210
[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone
CID 19472610
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219704
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703
N-(1-adamantyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19268926
N-(2,3,4,5,6-pentafluorophenyl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 4867083
N-(1-methylpyrazol-3-yl)-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
CID 19269125
(2,6-dimethylmorpholin-4-yl)-(4-phenylphenyl)methanone
CID 3118736
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(4-phenylphenyl)methanone
CID 7316313

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone (CID 42586969) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone is C[C@@H]1CN(C(=O)c2ccn(Cn3nnc(-c4ccccc4)n3)n2)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone?
The InChIKey is YWJHINXYLVFFQZ-OKILXGFUSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-13-10-23(11-14(2)27-13)18(26)16-8-9-24(20-16)12-25-21-17(19-22-25)15-6-4-3-5-7-15/h3-9,13-14H,10-12H2,1-2H3/t13-,14+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone has a molecular weight of 367.41 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(5-phenyltetrazol-2-yl)methyl]pyrazol-3-yl]methanone is sourced from PubChem (CID 42586969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).