1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one

C15H18N2O2 — CID 102802775

IUPAC1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C15H18N2O2/c1-11-14(10-17(2)16-11)15(18)9-6-12-4-7-13(19-3)8-5-12/h4-5,7-8,10H,6,9H2,1-3H3
InChIKeyCYCGXDGMBIVPLZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.55
Rot. Bonds5

About 1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one

1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one (PubChem CID 102802775) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
PubChem CID102802775
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(CCC(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C15H18N2O2/c1-11-14(10-17(2)16-11)15(18)9-6-12-4-7-13(19-3)8-5-12/h4-5,7-8,10H,6,9H2,1-3H3
InChIKeyCYCGXDGMBIVPLZ-UHFFFAOYSA-N
XLogP2.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrazole-4-carboxylic acid
CID 65446393
3-(4-methoxyphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 115580267
ethane;3-(4-methoxyphenyl)-1-(2-methylphenyl)propan-1-one
CID 145125132
3-[2-(4-methoxyphenyl)ethyl]-1,4-dimethylpyrazole
CID 155131154
1-(1,3-dimethylpyrazol-4-yl)-3-(5-methylfuran-2-yl)propane-1,3-dione
CID 102801723
3-(4-methoxyphenyl)-N-(1-methylpyrazol-3-yl)propanamide
CID 18152521
1-(1-ethylimidazol-4-yl)-3-(4-methoxyphenyl)propan-1-one
CID 114272870
1-(2-chloro-4-methylphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 106864975
methyl 1,3-dimethylpyrazole-4-carboxylate
CID 12654287
1-(1,3-dimethylpyrazol-4-yl)-5-methoxypentane-1,3-dione
CID 65197098
2-(4-tert-butylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanone
CID 102802701
2-(1,3-dimethylpyrazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 167827972

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one (CID 102802775) is 1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one is COc1ccc(CCC(=O)c2cn(C)nc2C)cc1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one?
The InChIKey is CYCGXDGMBIVPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-14(10-17(2)16-11)15(18)9-6-12-4-7-13(19-3)8-5-12/h4-5,7-8,10H,6,9H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one?
1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one has a molecular weight of 258.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 102802775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).