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

C15H19Cl2N3O — CID 43283267

IUPACN-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2Cl)c1CNC(C)C
InChIInChI=1S/C15H19Cl2N3O/c1-9(2)18-8-12-10(3)19-20(4)15(12)21-14-6-5-11(16)7-13(14)17/h5-7,9,18H,8H2,1-4H3
InChIKeyDJJFNTKKQDJPJO-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.33
Rot. Bonds5

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

N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (PubChem CID 43283267) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
PubChem CID43283267
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC NameN-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2Cl)c1CNC(C)C
InChIInChI=1S/C15H19Cl2N3O/c1-9(2)18-8-12-10(3)19-20(4)15(12)21-14-6-5-11(16)7-13(14)17/h5-7,9,18H,8H2,1-4H3
InChIKeyDJJFNTKKQDJPJO-UHFFFAOYSA-N
XLogP4.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole
CID 28964844
N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43283266
N-[[5-(2-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283294
1-[5-(2-chloro-4-fluorophenoxy)-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 54880706
N-[[5-(3,4-dimethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283039
N-[[5-(4-methoxyphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43283362
N-[[5-(4-ethylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 43282838
N-[[5-(4-bromo-2-chlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43283559
N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methylidene]hydroxylamine
CID 171985291
N-[[5-(2-fluoro-5-methylphenoxy)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 64855617
4-(chloromethyl)-1,3-dimethyl-5-(2,4,5-trichlorophenoxy)pyrazole
CID 28964659
1-(3-chlorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-2-amine
CID 115608410

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine (CID 43283267) is N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is Cc1nn(C)c(Oc2ccc(Cl)cc2Cl)c1CNC(C)C.
What is the InChIKey of N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is DJJFNTKKQDJPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-9(2)18-8-12-10(3)19-20(4)15(12)21-14-6-5-11(16)7-13(14)17/h5-7,9,18H,8H2,1-4H3.
What are the key properties of N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine?
N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 328.24 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 43283267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).