1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one

C17H22N2O — CID 64773333

IUPAC1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccn(C(C)C)n2)cc1C
InChIInChI=1S/C17H22N2O/c1-12(2)19-8-7-16(18-19)11-17(20)10-15-6-5-13(3)14(4)9-15/h5-9,12H,10-11H2,1-4H3
InChIKeyMMVPSSPSDVDKHW-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.44
Rot. Bonds5

About 1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one

1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one (PubChem CID 64773333) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
PubChem CID64773333
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
SMILESCc1ccc(CC(=O)Cc2ccn(C(C)C)n2)cc1C
InChIInChI=1S/C17H22N2O/c1-12(2)19-8-7-16(18-19)11-17(20)10-15-6-5-13(3)14(4)9-15/h5-9,12H,10-11H2,1-4H3
InChIKeyMMVPSSPSDVDKHW-UHFFFAOYSA-N
XLogP3.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 116548395
5-methyl-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-one
CID 64771535
1-(1-butan-2-ylpyrazol-3-yl)-3-(4-chlorophenyl)propan-2-one
CID 64783913
1-(3,4-dimethylphenyl)-N-methyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 64771393
1-(4-aminophenyl)-3-(1-butan-2-ylpyrazol-3-yl)propan-2-one
CID 116549421
1-(3,4-dimethylphenyl)-3-pyridin-2-ylpropan-2-one
CID 15055632
1-(1-propan-2-ylpyrazol-3-yl)undecan-2-one
CID 114975653
1-(1,3-dioxolan-2-yl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one
CID 103543712
1-(3,4-dimethylphenyl)-3-imidazo[2,1-b][1,3]thiazol-6-ylpropan-2-one
CID 115333101
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-one
CID 105105618
6-amino-1-(1-propan-2-ylpyrazol-3-yl)heptan-2-one
CID 116610103
1-(2-amino-1,3-thiazol-4-yl)-3-(3,4-dimethylphenyl)propan-2-one
CID 116575765

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one (CID 64773333) is 1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one is Cc1ccc(CC(=O)Cc2ccn(C(C)C)n2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
The InChIKey is MMVPSSPSDVDKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12(2)19-8-7-16(18-19)11-17(20)10-15-6-5-13(3)14(4)9-15/h5-9,12H,10-11H2,1-4H3.
What are the key properties of 1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one?
1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one has a molecular weight of 270.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-3-(1-propan-2-ylpyrazol-3-yl)propan-2-one is sourced from PubChem (CID 64773333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).