1-(2,3-dichlorophenyl)pyrazol-3-amine

C9H7Cl2N3 — CID 70210404

IUPAC1-(2,3-dichlorophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C9H7Cl2N3/c10-6-2-1-3-7(9(6)11)14-5-4-8(12)13-14/h1-5H,(H2,12,13)
InChIKeyGZSNPCIBAZBQEZ-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.76
Rot. Bonds1

About 1-(2,3-dichlorophenyl)pyrazol-3-amine

1-(2,3-dichlorophenyl)pyrazol-3-amine (PubChem CID 70210404) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)pyrazol-3-amine
PubChem CID70210404
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name1-(2,3-dichlorophenyl)pyrazol-3-amine
SMILESNc1ccn(-c2cccc(Cl)c2Cl)n1
InChIInChI=1S/C9H7Cl2N3/c10-6-2-1-3-7(9(6)11)14-5-4-8(12)13-14/h1-5H,(H2,12,13)
InChIKeyGZSNPCIBAZBQEZ-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)pyrazol-3-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)pyrazol-3-amine (CID 70210404) is 1-(2,3-dichlorophenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)pyrazol-3-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)pyrazol-3-amine is Nc1ccn(-c2cccc(Cl)c2Cl)n1.
What is the InChIKey of 1-(2,3-dichlorophenyl)pyrazol-3-amine?
The InChIKey is GZSNPCIBAZBQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c10-6-2-1-3-7(9(6)11)14-5-4-8(12)13-14/h1-5H,(H2,12,13).
What are the key properties of 1-(2,3-dichlorophenyl)pyrazol-3-amine?
1-(2,3-dichlorophenyl)pyrazol-3-amine has a molecular weight of 228.08 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)pyrazol-3-amine is sourced from PubChem (CID 70210404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).