1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one

C19H24N2O4 — CID 2951090

IUPAC1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)Cn2nc(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C19H24N2O4/c1-5-18(24)15-6-8-17(9-7-15)25-11-16(23)10-21-13(3)19(14(4)22)12(2)20-21/h6-9,16,23H,5,10-11H2,1-4H3
InChIKeyQZWTWCCXQNBYFR-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.74
Rot. Bonds8

About 1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one

1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one (PubChem CID 2951090) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
PubChem CID2951090
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)Cn2nc(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C19H24N2O4/c1-5-18(24)15-6-8-17(9-7-15)25-11-16(23)10-21-13(3)19(14(4)22)12(2)20-21/h6-9,16,23H,5,10-11H2,1-4H3
InChIKeyQZWTWCCXQNBYFR-UHFFFAOYSA-N
XLogP2.74
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-{4-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]-3-methoxyphenyl}ethanone
CID 2946580
1-(1-(3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl)-3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 2945003
1-{1-[3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-3,5-dimethyl-1H-pyrazol-4-yl}ethanone
CID 2962051
N-{4-[3-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy]phenyl}acetamide
CID 2962056
1-[1-(2-Hydroxy-3-naphthalen-2-yloxypropyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 2946675
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(p-tolyloxy)propan-2-ol
CID 3144351
[5-(3-Diisopropylamino-2-hydroxy-propoxy)-1,3-dimethyl-1H-pyrazol-4-yl]-phenyl-methanone
CID 10619362
Ethyl 1-(2-hydroxy-3-phenoxypropyl)-3-(4-methoxyphenyl)pyrazole-5-carboxylate
CID 44420067
Ethyl 1-(2-hydroxy-3-phenoxypropyl)-3-phenylpyrazole-5-carboxylate
CID 44420124
(E)-3-[4-[3-(3,5-dimethylpyrazol-1-yl)propoxy]-3-methoxyphenyl]-1-(4-methoxyphenyl)prop-2-en-1-one
CID 137635997
1-[4-[3-(3,5-Dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 2950969
1-(4-(3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropoxy)phenyl)propan-1-one
CID 2950506

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one (CID 2951090) is 1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCC(O)Cn2nc(C)c(C(C)=O)c2C)cc1.
What is the InChIKey of 1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one?
The InChIKey is QZWTWCCXQNBYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-5-18(24)15-6-8-17(9-7-15)25-11-16(23)10-21-13(3)19(14(4)22)12(2)20-21/h6-9,16,23H,5,10-11H2,1-4H3.
What are the key properties of 1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one?
1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one has a molecular weight of 344.41 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one is sourced from PubChem (CID 2951090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).