5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine

C9H7Cl2N3 — CID 1489158

IUPAC5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1
InChIInChI=1S/C9H7Cl2N3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)
InChIKeyYKEDJVVQHWJYBR-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.97
Rot. Bonds1

About 5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine

5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine (PubChem CID 1489158) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
PubChem CID1489158
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1
InChIInChI=1S/C9H7Cl2N3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14)
InChIKeyYKEDJVVQHWJYBR-UHFFFAOYSA-N
XLogP2.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(3,4-dichlorophenyl)-1H-pyrazol-3-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 5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine (CID 1489158) is 5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine?
The InChIKey is YKEDJVVQHWJYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-6-2-1-5(3-7(6)11)8-4-9(12)14-13-8/h1-4H,(H3,12,13,14).
What are the key properties of 5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine?
5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine has a molecular weight of 228.08 g/mol, XLogP of 2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 1489158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).