5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine

C13H15Cl2N3O — CID 66025940

IUPAC5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(Oc2cc(Cl)ccc2Cl)c1N
InChIInChI=1S/C13H15Cl2N3O/c1-7(2)18-13(12(16)8(3)17-18)19-11-6-9(14)4-5-10(11)15/h4-7H,16H2,1-3H3
InChIKeyCELOBXXKVQGJCR-UHFFFAOYSA-N
MW300.19 g/mol
LogP4.45
Rot. Bonds3

About 5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine

5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 66025940) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID66025940
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(Oc2cc(Cl)ccc2Cl)c1N
InChIInChI=1S/C13H15Cl2N3O/c1-7(2)18-13(12(16)8(3)17-18)19-11-6-9(14)4-5-10(11)15/h4-7H,16H2,1-3H3
InChIKeyCELOBXXKVQGJCR-UHFFFAOYSA-N
XLogP4.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 66025940) is 5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(Oc2cc(Cl)ccc2Cl)c1N.
What is the InChIKey of 5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is CELOBXXKVQGJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-7(2)18-13(12(16)8(3)17-18)19-11-6-9(14)4-5-10(11)15/h4-7H,16H2,1-3H3.
What are the key properties of 5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine?
5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 300.19 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenoxy)-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66025940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).