5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine

C13H15Cl2N3O — CID 66028268

IUPAC5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-3-4-18-13(12(16)8(2)17-18)19-11-6-9(14)5-10(15)7-11/h5-7H,3-4,16H2,1-2H3
InChIKeyKDXIILCKGCYYPF-UHFFFAOYSA-N
MW300.19 g/mol
LogP4.28
Rot. Bonds4

About 5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine

5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine (PubChem CID 66028268) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine
PubChem CID66028268
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2N3O/c1-3-4-18-13(12(16)8(2)17-18)19-11-6-9(14)5-10(15)7-11/h5-7H,3-4,16H2,1-2H3
InChIKeyKDXIILCKGCYYPF-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine?
The IUPAC name of 5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine (CID 66028268) is 5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine.
What is the SMILES notation for 5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine?
The canonical SMILES for 5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine?
The InChIKey is KDXIILCKGCYYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-3-4-18-13(12(16)8(2)17-18)19-11-6-9(14)5-10(15)7-11/h5-7H,3-4,16H2,1-2H3.
What are the key properties of 5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine?
5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine has a molecular weight of 300.19 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 66028268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).