[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone

C19H25N3O2 — CID 138031620

IUPAC[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(C)c(-n2ncc(C(=O)N3CC[C@@H](O)C[C@H]3C)c2C)c1
InChIInChI=1S/C19H25N3O2/c1-12-5-6-13(2)18(9-12)22-15(4)17(11-20-22)19(24)21-8-7-16(23)10-14(21)3/h5-6,9,11,14,16,23H,7-8,10H2,1-4H3/t14-,16-/m1/s1
InChIKeyOGGLXKDPQIGTEY-GDBMZVCRSA-N
MW327.43 g/mol
LogP2.78
Rot. Bonds2

About [1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone

[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone (PubChem CID 138031620) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is [1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
PubChem CID138031620
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(C)c(-n2ncc(C(=O)N3CC[C@@H](O)C[C@H]3C)c2C)c1
InChIInChI=1S/C19H25N3O2/c1-12-5-6-13(2)18(9-12)22-15(4)17(11-20-22)19(24)21-8-7-16(23)10-14(21)3/h5-6,9,11,14,16,23H,7-8,10H2,1-4H3/t14-,16-/m1/s1
InChIKeyOGGLXKDPQIGTEY-GDBMZVCRSA-N
XLogP2.78
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone
CID 124690290
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[1-(2-chlorophenyl)-5-methylpyrazol-4-yl]methanone
CID 124691927
1-(2,5-dimethylphenyl)-5-methyl-N-methylsulfonylpyrazole-4-carboxamide
CID 146154766
[1-(2-methoxyphenyl)-5-methylpyrazol-4-yl]-[(5S)-5-methyl-1,4-thiazepan-4-yl]methanone
CID 99842601
1-(2,5-dimethylphenyl)-5-(2-methylpropyl)pyrazole-4-carboxylic acid
CID 82361395
[1-(2-fluorophenyl)-5-methylpyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 134026359
1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone
CID 43381602
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 102787415
(2-methylpiperidin-1-yl)-[4-methyl-2-(triazol-2-yl)phenyl]methanone
CID 134503257
1-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122087409
(3R)-3-[[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]amino]-1-methylpyrrolidin-2-one
CID 99616166
(2S,4R)-4-hydroxy-1-(5-methyl-1-propylpyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 133112425

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone (CID 138031620) is [1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone is Cc1ccc(C)c(-n2ncc(C(=O)N3CC[C@@H](O)C[C@H]3C)c2C)c1.
What is the InChIKey of [1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone?
The InChIKey is OGGLXKDPQIGTEY-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12-5-6-13(2)18(9-12)22-15(4)17(11-20-22)19(24)21-8-7-16(23)10-14(21)3/h5-6,9,11,14,16,23H,7-8,10H2,1-4H3/t14-,16-/m1/s1.
What are the key properties of [1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone?
[1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethylphenyl)-5-methylpyrazol-4-yl]-[(2R,4R)-4-hydroxy-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 138031620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).