1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

C13H16N2O2 — CID 3653863

IUPAC1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccc(OC)cc2)=N1
InChIInChI=1S/C13H16N2O2/c1-3-13(16)15-9-8-12(14-15)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyXFBIQSWNRCJZLY-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.04
Rot. Bonds3

About 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 3653863) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID3653863
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1CCC(c2ccc(OC)cc2)=N1
InChIInChI=1S/C13H16N2O2/c1-3-13(16)15-9-8-12(14-15)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKeyXFBIQSWNRCJZLY-UHFFFAOYSA-N
XLogP2.04
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 23725172
2-Benzyl-6-(4-methoxyphenyl)pyridazin-3-one
CID 6472426
1-(3-(2,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11492515
1-(3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
CID 11673215
6-(3,4-Dimethoxyphenyl)-2-(5-phenylpentyl)pyridazin-3-one
CID 11153159
6-(3,4-Dimethoxyphenyl)-2-(5-phenylpentyl)-4,5-dihydropyridazin-3-one
CID 11440401
[4-[2-Acetyl-5-(4-methoxyphenyl)-3,4-dihydropyrazol-3-yl]phenyl] sulfamate
CID 155547275
2-allyl-6-(4-methoxystyryl)-4,5-dihydro-3(2H)-pyridazinone
CID 1475385
N-(2-methoxyethyl)-2-[3-(4-methoxyphenyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl]acetamide
CID 16000066
3(2H)-Pyridazinone, 2-ethyl-5,6-bis(4-methoxyphenyl)-
CID 9902312
2-(Cyclopentylmethyl)-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 9908438
2-Cyclopentyl-5,6-bis(4-methoxyphenyl)pyridazin-3-one
CID 10110067

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (CID 3653863) is 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1CCC(c2ccc(OC)cc2)=N1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is XFBIQSWNRCJZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-13(16)15-9-8-12(14-15)10-4-6-11(17-2)7-5-10/h4-7H,3,8-9H2,1-2H3.
What are the key properties of 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 232.28 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 3653863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).