3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one

C19H25N3O — CID 53033057

IUPAC3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(-c2nn(C)cc2CCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H25N3O/c1-15-6-8-16(9-7-15)19-17(14-21(2)20-19)10-11-18(23)22-12-4-3-5-13-22/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyJKGDQEDZKHCZIC-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.34
Rot. Bonds4

About 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one

3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 53033057) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID53033057
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one
SMILESCc1ccc(-c2nn(C)cc2CCC(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H25N3O/c1-15-6-8-16(9-7-15)19-17(14-21(2)20-19)10-11-18(23)22-12-4-3-5-13-22/h6-9,14H,3-5,10-13H2,1-2H3
InChIKeyJKGDQEDZKHCZIC-UHFFFAOYSA-N
XLogP3.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53033076
1-(azepan-1-yl)-3-(1,3-diphenylpyrazol-4-yl)propan-1-one
CID 46295896
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 53058845
N-benzyl-3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]propanamide
CID 53033046
1-(azepan-1-yl)-4-(4-methylphenyl)butane-1,4-dione
CID 2097562
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
N-cyclopentyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033030
N-cyclopropyl-3-(1-methyl-3-phenylpyrazol-4-yl)propanamide
CID 53033035
3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71839862
3-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 46295814
4-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-1-piperidin-1-ylbutan-1-one
CID 170246190
3-[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]propanoic acid
CID 91871950

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one (CID 53033057) is 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one is Cc1ccc(-c2nn(C)cc2CCC(=O)N2CCCCC2)cc1.
What is the InChIKey of 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is JKGDQEDZKHCZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-15-6-8-16(9-7-15)19-17(14-21(2)20-19)10-11-18(23)22-12-4-3-5-13-22/h6-9,14H,3-5,10-13H2,1-2H3.
What are the key properties of 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one?
3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 311.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-3-(4-methylphenyl)pyrazol-4-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 53033057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).