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

C15H12Cl2N4 — CID 80522471

IUPAC3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(-c2cc(Cl)ccc2Cl)c(-c2cccnc2)c1N
InChIInChI=1S/C15H12Cl2N4/c1-21-15(18)13(9-3-2-6-19-8-9)14(20-21)11-7-10(16)4-5-12(11)17/h2-8H,18H2,1H3
InChIKeyDJPPQIQFHZZZNH-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.04
Rot. Bonds2

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

3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (PubChem CID 80522471) has the molecular formula C15H12Cl2N4 and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
PubChem CID80522471
Molecular FormulaC15H12Cl2N4
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(-c2cc(Cl)ccc2Cl)c(-c2cccnc2)c1N
InChIInChI=1S/C15H12Cl2N4/c1-21-15(18)13(9-3-2-6-19-8-9)14(20-21)11-7-10(16)4-5-12(11)17/h2-8H,18H2,1H3
InChIKeyDJPPQIQFHZZZNH-UHFFFAOYSA-N
XLogP4.04
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-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-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (CID 80522471) is 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is Cn1nc(-c2cc(Cl)ccc2Cl)c(-c2cccnc2)c1N.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The InChIKey is DJPPQIQFHZZZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4/c1-21-15(18)13(9-3-2-6-19-8-9)14(20-21)11-7-10(16)4-5-12(11)17/h2-8H,18H2,1H3.
What are the key properties of 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine has a molecular weight of 319.20 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 80522471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).