4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine

C15H19Cl2N3 — CID 43158669

IUPAC4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
SMILESCCC(CC)c1nn(C)c(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-4-9(5-2)14-13(15(18)20(3)19-14)11-7-6-10(16)8-12(11)17/h6-9H,4-5,18H2,1-3H3
InChIKeyAQOUHDUDOLAZAL-UHFFFAOYSA-N
MW312.24 g/mol
LogP4.88
Rot. Bonds4

About 4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine

4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine (PubChem CID 43158669) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
PubChem CID43158669
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
SMILESCCC(CC)c1nn(C)c(N)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3/c1-4-9(5-2)14-13(15(18)20(3)19-14)11-7-6-10(16)8-12(11)17/h6-9H,4-5,18H2,1-3H3
InChIKeyAQOUHDUDOLAZAL-UHFFFAOYSA-N
XLogP4.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(2-methylphenyl)-3-pentan-3-ylpyrazol-5-amine
CID 43336276
4-(2,4-dichlorophenyl)-3-(2-methoxyethyl)-1-methylpyrazol-5-amine
CID 43336534
1-methyl-4-(3-methylphenyl)-3-pentan-3-ylpyrazol-5-amine
CID 62829768
4-(3,5-difluorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 61496782
4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine
CID 107001722
2-(2,4-dichlorophenyl)-3,6-dimethyl-5-pentan-3-ylpyrazine
CID 90838020
4-(2,4-dichlorophenyl)-3-heptan-4-yl-1,2-oxazol-5-amine
CID 82989478
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine
CID 62018478
4-(2-chloro-4-fluorophenyl)-1-methyl-3-(2-methylpropyl)pyrazol-5-amine
CID 55143798
4-(3-chlorophenyl)-1-methyl-3-pentan-2-ylpyrazol-5-amine
CID 43336306
4-(2,4-dimethylphenyl)-1-methyl-3-propan-2-ylpyrazol-5-amine
CID 83544738

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine (CID 43158669) is 4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine is CCC(CC)c1nn(C)c(N)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine?
The InChIKey is AQOUHDUDOLAZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-4-9(5-2)14-13(15(18)20(3)19-14)11-7-6-10(16)8-12(11)17/h6-9H,4-5,18H2,1-3H3.
What are the key properties of 4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine?
4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine has a molecular weight of 312.24 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-methyl-3-pentan-3-ylpyrazol-5-amine is sourced from PubChem (CID 43158669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).