1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine

C8H6Cl2N4 — CID 61175443

IUPAC1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine
SMILESNc1cnn(-c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C8H6Cl2N4/c9-5-1-7(10)8(12-2-5)14-4-6(11)3-13-14/h1-4H,11H2
InChIKeySPTWIADVPOGCGX-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.16
Rot. Bonds1

About 1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine

1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine (PubChem CID 61175443) has the molecular formula C8H6Cl2N4 and a molecular weight of 229.07 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine
PubChem CID61175443
Molecular FormulaC8H6Cl2N4
Molecular Weight229.07 g/mol
Exact Mass228.00
IUPAC Name1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine
SMILESNc1cnn(-c2ncc(Cl)cc2Cl)c1
InChIInChI=1S/C8H6Cl2N4/c9-5-1-7(10)8(12-2-5)14-4-6(11)3-13-14/h1-4H,11H2
InChIKeySPTWIADVPOGCGX-UHFFFAOYSA-N
XLogP2.16
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dichloro-2-pyridinyl)pyrazol-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 1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine (CID 61175443) is 1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine is Nc1cnn(-c2ncc(Cl)cc2Cl)c1.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine?
The InChIKey is SPTWIADVPOGCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4/c9-5-1-7(10)8(12-2-5)14-4-6(11)3-13-14/h1-4H,11H2.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine?
1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine has a molecular weight of 229.07 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)pyrazol-4-amine is sourced from PubChem (CID 61175443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).