4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine

C9H9ClN6 — CID 694053

IUPAC4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4H,(H5,11,12,15,16)/b14-13+
InChIKeyAFJGGVKGGIUNFB-BUHFOSPRSA-N
MW236.67 g/mol
LogP2.64
Rot. Bonds2

About 4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine

4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 694053) has the molecular formula C9H9ClN6 and a molecular weight of 236.67 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID694053
Molecular FormulaC9H9ClN6
Molecular Weight236.67 g/mol
Exact Mass236.06
IUPAC Name4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4H,(H5,11,12,15,16)/b14-13+
InChIKeyAFJGGVKGGIUNFB-BUHFOSPRSA-N
XLogP2.64
TPSA105.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.67
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-Fluorophenyl)hydrazinylidene]pyrazole-3,5-diamine
CID 694527
4-(phenyldiazenyl)-1H-pyrazole-3,5-diamine
CID 242623
4-[(E)-(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 694525
Pyrazole-3,5-diamine, 4-(2,4-dichlorophenylazo)-
CID 535909
5-Cyclopropyl-4-[(3,4-dichlorophenyl)hydrazinylidene]-3-pyrazolamine
CID 2818922
4-[2-(4-chlorophenyl)diaz-1-enyl]-3-cyclopropyl-1H-pyrazol-5-amine
CID 2818928
4-[(4-chlorophenyl)diazenyl]-1H-pyrazol-3-amine
CID 135490297
3-amino-5-imino-1,5-dihydro-4H-pyrazol-4-one (3-fluorophenyl)hydrazone
CID 694534
2-(2,4-dichlorophenyl)-3,5-dihydro-1H-pyrazolo[3,4-d]triazol-6-amine
CID 830036
3,5-Diamino-4-[(2-Chlorophenyl)Hydrazono]Pyrazole
CID 818301
4-[(2,3,4-trifluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135406893
4-[(3,5-difluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135425309

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 694053) is 4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is AFJGGVKGGIUNFB-BUHFOSPRSA-N. The full InChI is InChI=1S/C9H9ClN6/c10-5-1-3-6(4-2-5)13-14-7-8(11)15-16-9(7)12/h1-4H,(H5,11,12,15,16)/b14-13+.
What are the key properties of 4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 236.67 g/mol, XLogP of 2.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 694053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).