(2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone

C18H23N3O — CID 110685968

IUPAC(2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2C(C)CCCC2C)n(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O/c1-13-12-17(21(19-13)16-10-5-4-6-11-16)18(22)20-14(2)8-7-9-15(20)3/h4-6,10-12,14-15H,7-9H2,1-3H3
InChIKeyPERGNWFARIHSAH-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.58
Rot. Bonds2

About (2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone

(2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone (PubChem CID 110685968) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone
PubChem CID110685968
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2C(C)CCCC2C)n(-c2ccccc2)n1
InChIInChI=1S/C18H23N3O/c1-13-12-17(21(19-13)16-10-5-4-6-11-16)18(22)20-14(2)8-7-9-15(20)3/h4-6,10-12,14-15H,7-9H2,1-3H3
InChIKeyPERGNWFARIHSAH-UHFFFAOYSA-N
XLogP3.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 7211200
N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685975
(2,6-dimethylpiperidin-1-yl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 3158157
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-2-phenylpyrazol-3-yl)methanone
CID 10090944
(5-methyl-2-phenylpyrazol-3-yl)-(4-naphthalen-1-ylpiperazin-1-yl)methanone
CID 10250156
2-(6-methyl-3-oxo-2-phenylpyridazine-4-carbonyl)cyclohexane-1,3-dione
CID 86709264
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-5-carboxylate
CID 7221881
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methylphenyl)methanone
CID 791598
(2,6-dimethylpiperidin-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 4224556
(3-cyclopropyl-1-phenylpyrazol-5-yl)-pyrrolidin-1-ylmethanone
CID 9437858
(5-methyl-2-phenylpyrazol-3-yl) hydrogen carbonate
CID 175140326

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone (CID 110685968) is (2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2C(C)CCCC2C)n(-c2ccccc2)n1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone?
The InChIKey is PERGNWFARIHSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-12-17(21(19-13)16-10-5-4-6-11-16)18(22)20-14(2)8-7-9-15(20)3/h4-6,10-12,14-15H,7-9H2,1-3H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone?
(2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(5-methyl-2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 110685968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).