1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine

C14H17Cl2N3O — CID 63803668

IUPAC1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(Oc2cc(Cl)cc(Cl)c2)c1CC(C)N
InChIInChI=1S/C14H17Cl2N3O/c1-8(17)4-13-9(2)18-19(3)14(13)20-12-6-10(15)5-11(16)7-12/h5-8H,4,17H2,1-3H3
InChIKeyIVYGEYVBQNMYJF-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.72
Rot. Bonds4

About 1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine

1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine (PubChem CID 63803668) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
PubChem CID63803668
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(Oc2cc(Cl)cc(Cl)c2)c1CC(C)N
InChIInChI=1S/C14H17Cl2N3O/c1-8(17)4-13-9(2)18-19(3)14(13)20-12-6-10(15)5-11(16)7-12/h5-8H,4,17H2,1-3H3
InChIKeyIVYGEYVBQNMYJF-UHFFFAOYSA-N
XLogP3.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine
CID 63817332
1-[5-(2-ethoxyphenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63817513
1-[5-(3-chlorophenoxy)-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]propan-2-amine
CID 170891001
[5-(3,5-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 28964156
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
4-(3,5-dichlorophenoxy)-1,3,5-trimethylpyrazole
CID 58077329
[5-(3,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methanol
CID 54898382
5-(3,5-dichlorophenoxy)-3-methyl-1-propylpyrazol-4-amine
CID 66028268
4-(2-aminopropyl)-N-[(4-chlorophenyl)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 63815150
2-[5-(4-chloro-3-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]ethanamine
CID 82726959
1-(4-chloro-1,3-dimethylpyrazol-5-yl)oxypropan-2-amine
CID 84671971
[5-(4-butan-2-ylphenoxy)-1,3-dimethylpyrazol-4-yl]methanamine
CID 107663593

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine (CID 63803668) is 1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine is Cc1nn(C)c(Oc2cc(Cl)cc(Cl)c2)c1CC(C)N.
What is the InChIKey of 1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The InChIKey is IVYGEYVBQNMYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-8(17)4-13-9(2)18-19(3)14(13)20-12-6-10(15)5-11(16)7-12/h5-8H,4,17H2,1-3H3.
What are the key properties of 1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine?
1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine has a molecular weight of 314.22 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 63803668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).