4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine

C8H8ClN7 — CID 135744103

IUPAC4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccc(Cl)nc1
InChIInChI=1S/C8H8ClN7/c9-5-2-1-4(3-12-5)13-14-6-7(10)15-16-8(6)11/h1-3H,(H5,10,11,15,16)/b14-13+
InChIKeyFUZXNJPCNUMJPC-BUHFOSPRSA-N
MW237.65 g/mol
LogP2.04
Rot. Bonds2

About 4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine

4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 135744103) has the molecular formula C8H8ClN7 and a molecular weight of 237.65 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID135744103
Molecular FormulaC8H8ClN7
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1ccc(Cl)nc1
InChIInChI=1S/C8H8ClN7/c9-5-2-1-4(3-12-5)13-14-6-7(10)15-16-8(6)11/h1-3H,(H5,10,11,15,16)/b14-13+
InChIKeyFUZXNJPCNUMJPC-BUHFOSPRSA-N
XLogP2.04
TPSA118.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 135744103) is 4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1ccc(Cl)nc1.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is FUZXNJPCNUMJPC-BUHFOSPRSA-N. The full InChI is InChI=1S/C8H8ClN7/c9-5-2-1-4(3-12-5)13-14-6-7(10)15-16-8(6)11/h1-3H,(H5,10,11,15,16)/b14-13+.
What are the key properties of 4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 237.65 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135744103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).