1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

C12H14N2O — CID 11521279

IUPAC1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc(C)cc2)=N1
InChIInChI=1S/C12H14N2O/c1-9-3-5-11(6-4-9)12-7-8-14(13-12)10(2)15/h3-6H,7-8H2,1-2H3
InChIKeyNRVDUSQWCOCYMS-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.95
Rot. Bonds1

About 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone

1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone (PubChem CID 11521279) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
PubChem CID11521279
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone
SMILESCC(=O)N1CCC(c2ccc(C)cc2)=N1
InChIInChI=1S/C12H14N2O/c1-9-3-5-11(6-4-9)12-7-8-14(13-12)10(2)15/h3-6H,7-8H2,1-2H3
InChIKeyNRVDUSQWCOCYMS-UHFFFAOYSA-N
XLogP1.95
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-3,5-diphenyl-4,5-dihydro-(1H)-pyrazole
CID 207753
1-Benzyl-3-methyl-2-pyrazolin-5-one
CID 70349
1-(3,5-Diphenyl-4,5-dihydro-pyrazol-1-yl)-propan-1-one
CID 3095456
2-Ethyl-6-phenyl-4,5-dihydro-2H-pyridazin-3-one
CID 814967
6-Methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one
CID 2800008
2-Methyl-6-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyridazin-3-one
CID 44539969
2-methyl-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
CID 44539973
2,2-Dimethyl-1-[3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 122703665
1-Acetyl-5-(4-fluorophenyl)-3-phenyl-2-pyrazoline
CID 2829363
1(6H)-Pyridazinepropanenitrile, 6-oxo-3-phenyl-
CID 4147009
1-acetyl-3-(4-chloro-phenyl)-4,5-dihydro-1H-pyrazole
CID 1519955
1-(5-Phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 4026325

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The IUPAC name of 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone (CID 11521279) is 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone is CC(=O)N1CCC(c2ccc(C)cc2)=N1.
What is the InChIKey of 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
The InChIKey is NRVDUSQWCOCYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-3-5-11(6-4-9)12-7-8-14(13-12)10(2)15/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone?
1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone has a molecular weight of 202.26 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone is sourced from PubChem (CID 11521279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).