5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine

C12H11Cl2N5 — CID 2818922

IUPAC5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CC2)c1/N=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N5/c13-8-4-3-7(5-9(8)14)16-18-11-10(6-1-2-6)17-19-12(11)15/h3-6H,1-2H2,(H3,15,17,19)/b18-16+
InChIKeyXRDJBWCKWYAEOK-FBMGVBCBSA-N
MW296.16 g/mol
LogP4.59
Rot. Bonds3

About 5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine

5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine (PubChem CID 2818922) has the molecular formula C12H11Cl2N5 and a molecular weight of 296.16 g/mol. Its IUPAC name is 5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine
PubChem CID2818922
Molecular FormulaC12H11Cl2N5
Molecular Weight296.16 g/mol
Exact Mass295.04
IUPAC Name5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CC2)c1/N=N/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H11Cl2N5/c13-8-4-3-7(5-9(8)14)16-18-11-10(6-1-2-6)17-19-12(11)15/h3-6H,1-2H2,(H3,15,17,19)/b18-16+
InChIKeyXRDJBWCKWYAEOK-FBMGVBCBSA-N
XLogP4.59
TPSA79.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine (CID 2818922) is 5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine is Nc1n[nH]c(C2CC2)c1/N=N/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine?
The InChIKey is XRDJBWCKWYAEOK-FBMGVBCBSA-N. The full InChI is InChI=1S/C12H11Cl2N5/c13-8-4-3-7(5-9(8)14)16-18-11-10(6-1-2-6)17-19-12(11)15/h3-6H,1-2H2,(H3,15,17,19)/b18-16+.
What are the key properties of 5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine?
5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine has a molecular weight of 296.16 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[(3,4-dichlorophenyl)diazenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 2818922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).