4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine

C13H15Cl2N3O — CID 43336534

IUPAC4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine
SMILESCOCCc1nn(C)c(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O/c1-18-13(16)12(11(17-18)5-6-19-2)9-4-3-8(14)7-10(9)15/h3-4,7H,5-6,16H2,1-2H3
InChIKeyJGHSUZPSUKPELW-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.16
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine

4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine (PubChem CID 43336534) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine
PubChem CID43336534
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine
SMILESCOCCc1nn(C)c(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3O/c1-18-13(16)12(11(17-18)5-6-19-2)9-4-3-8(14)7-10(9)15/h3-4,7H,5-6,16H2,1-2H3
InChIKeyJGHSUZPSUKPELW-UHFFFAOYSA-N
XLogP3.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 43158669
4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine
CID 107001722
4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
CID 55143798
4-(2-chloro-4-fluorophenyl)-3-(2-methoxyethyl)-1,2-oxazol-5-amine
CID 63038642
3-(aminomethyl)-4-(2,4-dichlorophenyl)-6-(3-methoxypropyl)-2-methylpyrrolo[3,4-b]pyridin-5-ol
CID 136612152
[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine
CID 84610147
5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine
CID 62018478
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
[4-(2,4-dichlorophenyl)-6-(2-methoxyethyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-3-yl]methylazanium
CID 78226013
4-(3-chlorophenyl)-3-[(dimethylamino)methyl]-1-methylpyrazol-5-amine
CID 83813957
3-(4-chloro-2-methoxyphenyl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62500518
[2,4,6-tris(2,4-dichlorophenyl)-3,5-diphosphonooxyphenyl] dihydrogen phosphate
CID 11765859

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine (CID 43336534) is 4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine is COCCc1nn(C)c(N)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine?
The InChIKey is JGHSUZPSUKPELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-18-13(16)12(11(17-18)5-6-19-2)9-4-3-8(14)7-10(9)15/h3-4,7H,5-6,16H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine?
4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine has a molecular weight of 300.19 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 43336534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).