4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine

C10H12N6 — CID 3146193

IUPAC4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCc1ccccc1/N=N/c1c(N)n[nH]c1N
InChIInChI=1S/C10H12N6/c1-6-4-2-3-5-7(6)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+
InChIKeyBHSCLHDQTNDXDV-BUHFOSPRSA-N
MW216.25 g/mol
LogP2.30
Rot. Bonds2

About 4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine

4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 3146193) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID3146193
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCc1ccccc1/N=N/c1c(N)n[nH]c1N
InChIInChI=1S/C10H12N6/c1-6-4-2-3-5-7(6)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+
InChIKeyBHSCLHDQTNDXDV-BUHFOSPRSA-N
XLogP2.30
TPSA105.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 52.30
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 3146193) is 4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine is Cc1ccccc1/N=N/c1c(N)n[nH]c1N.
What is the InChIKey of 4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is BHSCLHDQTNDXDV-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H12N6/c1-6-4-2-3-5-7(6)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+.
What are the key properties of 4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine has a molecular weight of 216.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 3146193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).