1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one

C14H14Cl2N2O2 — CID 105108649

IUPAC1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one
SMILESCc1nn(C)c(CC(=O)COc2cccc(Cl)c2)c1Cl
InChIInChI=1S/C14H14Cl2N2O2/c1-9-14(16)13(18(2)17-9)7-11(19)8-20-12-5-3-4-10(15)6-12/h3-6H,7-8H2,1-2H3
InChIKeyDKDSSGYREULAMP-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.23
Rot. Bonds5

About 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one (PubChem CID 105108649) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one
PubChem CID105108649
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one
SMILESCc1nn(C)c(CC(=O)COc2cccc(Cl)c2)c1Cl
InChIInChI=1S/C14H14Cl2N2O2/c1-9-14(16)13(18(2)17-9)7-11(19)8-20-12-5-3-4-10(15)6-12/h3-6H,7-8H2,1-2H3
InChIKeyDKDSSGYREULAMP-UHFFFAOYSA-N
XLogP3.23
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-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

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(2,5-dimethylphenyl)propan-2-one
CID 114979203
1-(3-chlorophenoxy)-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-one
CID 105110355
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-propan-2-yloxyphenyl)ethanone
CID 114979332
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-[3-(difluoromethoxy)phenyl]ethanone
CID 114979204
5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-one
CID 66045871
1-(3-chlorophenoxy)-3-ethoxypropan-2-one
CID 114553807
methyl 4-[[1-[(3-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748828
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 114979303
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790359
2-(3-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 43397496
phenyl 2-(3-chlorophenoxy)acetate
CID 19179107
1-(4-chloro-1,3-dimethylpyrazol-5-yl)heptan-2-one
CID 114979229

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one (CID 105108649) is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one is Cc1nn(C)c(CC(=O)COc2cccc(Cl)c2)c1Cl.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one?
The InChIKey is DKDSSGYREULAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-9-14(16)13(18(2)17-9)7-11(19)8-20-12-5-3-4-10(15)6-12/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one?
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one has a molecular weight of 313.18 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-(3-chlorophenoxy)propan-2-one is sourced from PubChem (CID 105108649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).