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

C14H17Cl2N3 — CID 114079681

IUPAC3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H17Cl2N3/c1-3-9(4-2)19-8-12(17)14(18-19)10-6-5-7-11(15)13(10)16/h5-9H,3-4,17H2,1-2H3
InChIKeyIXWASQPWBKIPND-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.80
Rot. Bonds4

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

3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine (PubChem CID 114079681) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine
PubChem CID114079681
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine
SMILESCCC(CC)n1cc(N)c(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C14H17Cl2N3/c1-3-9(4-2)19-8-12(17)14(18-19)10-6-5-7-11(15)13(10)16/h5-9H,3-4,17H2,1-2H3
InChIKeyIXWASQPWBKIPND-UHFFFAOYSA-N
XLogP4.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine (CID 114079681) is 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine is CCC(CC)n1cc(N)c(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine?
The InChIKey is IXWASQPWBKIPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-3-9(4-2)19-8-12(17)14(18-19)10-6-5-7-11(15)13(10)16/h5-9H,3-4,17H2,1-2H3.
What are the key properties of 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine?
3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine has a molecular weight of 298.22 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1-pentan-3-ylpyrazol-4-amine is sourced from PubChem (CID 114079681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).