3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine

C12H13Cl2N3 — CID 43670796

IUPAC3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine
SMILESCCc1c(-c2cc(Cl)cc(Cl)c2)nn(C)c1N
InChIInChI=1S/C12H13Cl2N3/c1-3-10-11(16-17(2)12(10)15)7-4-8(13)6-9(14)5-7/h4-6H,3,15H2,1-2H3
InChIKeyIFFLBXZOHIQMEI-UHFFFAOYSA-N
MW270.16 g/mol
LogP3.54
Rot. Bonds2

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

3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine (PubChem CID 43670796) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine
PubChem CID43670796
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine
SMILESCCc1c(-c2cc(Cl)cc(Cl)c2)nn(C)c1N
InChIInChI=1S/C12H13Cl2N3/c1-3-10-11(16-17(2)12(10)15)7-4-8(13)6-9(14)5-7/h4-6H,3,15H2,1-2H3
InChIKeyIFFLBXZOHIQMEI-UHFFFAOYSA-N
XLogP3.54
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 81322868
3-(1,3-dihydro-2-benzofuran-5-yl)-4-ethyl-1-methylpyrazol-5-amine
CID 63744866
3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670812
3-(3-chloro-4-methylphenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405718
3-(5-bromo-4-methylthiophen-2-yl)-4-ethyl-1-methylpyrazol-5-amine
CID 79990711
6-(3-chloro-5-fluorophenyl)-5-ethylpyrimidin-4-amine
CID 113324874
3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 114373221
5-(3,5-dichlorophenyl)-2,3-diethylimidazol-4-amine
CID 62226580
3-(3-chloro-5-methylphenyl)-1-methyl-4-phenylpyrazol-5-amine
CID 81317120
4,5-diethyl-2-methylpyrazol-3-amine;hydrate
CID 47000727
5-(3,5-dichlorophenyl)-2-ethyl-3-propan-2-ylimidazol-4-amine
CID 62218840
3-(2,3-dimethylphenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670733

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine?
The IUPAC name of 3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine (CID 43670796) is 3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine is CCc1c(-c2cc(Cl)cc(Cl)c2)nn(C)c1N.
What is the InChIKey of 3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine?
The InChIKey is IFFLBXZOHIQMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-3-10-11(16-17(2)12(10)15)7-4-8(13)6-9(14)5-7/h4-6H,3,15H2,1-2H3.
What are the key properties of 3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine?
3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine has a molecular weight of 270.16 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-4-ethyl-1-methylpyrazol-5-amine is sourced from PubChem (CID 43670796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).