[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone

C18H23N3O2 — CID 110373220

IUPAC[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(-n2nc(C(=O)N3CCCC(C)C3)cc2C)c1
InChIInChI=1S/C18H23N3O2/c1-13-6-5-9-20(12-13)18(22)17-10-14(2)21(19-17)15-7-4-8-16(11-15)23-3/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3
InChIKeyGRPGZVXZWCIYOU-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.06
Rot. Bonds3

About [1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone

[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 110373220) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID110373220
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1cccc(-n2nc(C(=O)N3CCCC(C)C3)cc2C)c1
InChIInChI=1S/C18H23N3O2/c1-13-6-5-9-20(12-13)18(22)17-10-14(2)21(19-17)15-7-4-8-16(11-15)23-3/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3
InChIKeyGRPGZVXZWCIYOU-UHFFFAOYSA-N
XLogP3.06
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110372815
1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 120512556
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 110373209
[2-[(3-methoxyphenoxy)methyl]-1,3-oxazol-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 45229409
[1-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 110373058
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218095
[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 20856255
[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 136521082
1-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 120512359
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-methyl-1-phenylpyrazol-3-yl)methanone
CID 119636938
[6-[2-(3-methoxyphenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109351298
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119378655

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone (CID 110373220) is [1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone is COc1cccc(-n2nc(C(=O)N3CCCC(C)C3)cc2C)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is GRPGZVXZWCIYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-6-5-9-20(12-13)18(22)17-10-14(2)21(19-17)15-7-4-8-16(11-15)23-3/h4,7-8,10-11,13H,5-6,9,12H2,1-3H3.
What are the key properties of [1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone?
[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110373220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).