5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine

C15H20ClN3O — CID 66027689

IUPAC5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C15H20ClN3O/c1-5-6-19-15(14(17)11(4)18-19)20-12-7-9(2)13(16)10(3)8-12/h7-8H,5-6,17H2,1-4H3
InChIKeyJMVNCWUTVGCVIG-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.25
Rot. Bonds4

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

5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine (PubChem CID 66027689) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine
PubChem CID66027689
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine
SMILESCCCn1nc(C)c(N)c1Oc1cc(C)c(Cl)c(C)c1
InChIInChI=1S/C15H20ClN3O/c1-5-6-19-15(14(17)11(4)18-19)20-12-7-9(2)13(16)10(3)8-12/h7-8H,5-6,17H2,1-4H3
InChIKeyJMVNCWUTVGCVIG-UHFFFAOYSA-N
XLogP4.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine?
The IUPAC name of 5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine (CID 66027689) is 5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine.
What is the SMILES notation for 5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine?
The canonical SMILES for 5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine is CCCn1nc(C)c(N)c1Oc1cc(C)c(Cl)c(C)c1.
What is the InChIKey of 5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine?
The InChIKey is JMVNCWUTVGCVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-5-6-19-15(14(17)11(4)18-19)20-12-7-9(2)13(16)10(3)8-12/h7-8H,5-6,17H2,1-4H3.
What are the key properties of 5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine?
5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine has a molecular weight of 293.80 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3,5-dimethylphenoxy)-3-methyl-1-propylpyrazol-4-amine is sourced from PubChem (CID 66027689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).