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

C17H21ClN2O3 — CID 4919023

IUPAC1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)Cn2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C17H21ClN2O3/c1-4-16(22)13-5-7-15(8-6-13)23-10-14(21)9-20-12(3)17(18)11(2)19-20/h5-8,14,21H,4,9-10H2,1-3H3
InChIKeyZRRRPYOHBNIHBC-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.19
Rot. Bonds7

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

1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one (PubChem CID 4919023) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is 1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
PubChem CID4919023
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OCC(O)Cn2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C17H21ClN2O3/c1-4-16(22)13-5-7-15(8-6-13)23-10-14(21)9-20-12(3)17(18)11(2)19-20/h5-8,14,21H,4,9-10H2,1-3H3
InChIKeyZRRRPYOHBNIHBC-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 7347345
1-(4-chlorophenoxy)-3-(3,4,5-trimethylpyrazol-1-yl)propan-2-ol
CID 86807083
1-[4-[(2R)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
CID 25352629
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 62129687
N-[4-[(2S)-3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 973802
1-[4-[(2R)-2-hydroxy-3-morpholin-4-ylpropoxy]phenyl]propan-1-one
CID 977024
4-[2-[(2S)-2-hydroxy-3-(4-propanoylphenoxy)propyl]tetrazol-5-yl]benzamide
CID 30661571
1-[4-[(2S)-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 51566506
4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzohydrazide
CID 63577103
1-[4-[2-hydroxy-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propoxy]phenyl]propan-1-one
CID 24661190
3-[2-hydroxy-3-(4-propanoylphenoxy)propyl]thieno[2,3-d]pyrimidin-4-one
CID 24658776
1-[4-[(2R)-2-hydroxy-3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]phenyl]propan-1-one
CID 2144752

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one (CID 4919023) is 1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OCC(O)Cn2nc(C)c(Cl)c2C)cc1.
What is the InChIKey of 1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one?
The InChIKey is ZRRRPYOHBNIHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-4-16(22)13-5-7-15(8-6-13)23-10-14(21)9-20-12(3)17(18)11(2)19-20/h5-8,14,21H,4,9-10H2,1-3H3.
What are the key properties of 1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one?
1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one has a molecular weight of 336.82 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one is sourced from PubChem (CID 4919023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).