1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one

C15H18N2O — CID 103024078

IUPAC1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCc1cc(C)cc(C(=O)CCc2cnn(C)c2)c1
InChIInChI=1S/C15H18N2O/c1-11-6-12(2)8-14(7-11)15(18)5-4-13-9-16-17(3)10-13/h6-10H,4-5H2,1-3H3
InChIKeyPUJKBNGZXZEHRY-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.85
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one

1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 103024078) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID103024078
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCc1cc(C)cc(C(=O)CCc2cnn(C)c2)c1
InChIInChI=1S/C15H18N2O/c1-11-6-12(2)8-14(7-11)15(18)5-4-13-9-16-17(3)10-13/h6-10H,4-5H2,1-3H3
InChIKeyPUJKBNGZXZEHRY-UHFFFAOYSA-N
XLogP2.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dichlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007783
1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007220
3-(1-methylpyrazol-4-yl)-1-pyridin-3-ylpropan-1-one
CID 103007248
1-(6-bromonaphthalen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023893
1-(4-bromo-3-chlorophenyl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023937
1-(5-methylfuran-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103024085
1-(1H-imidazol-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103007743
1-(3-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-one
CID 103023672
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023677
1-(2,5-dichlorothiophen-3-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 107967873
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(1-methylpyrazol-4-yl)propan-1-one
CID 103023801

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one (CID 103024078) is 1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one is Cc1cc(C)cc(C(=O)CCc2cnn(C)c2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is PUJKBNGZXZEHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-12(2)8-14(7-11)15(18)5-4-13-9-16-17(3)10-13/h6-10H,4-5H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one?
1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 242.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 103024078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).