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

C10H12N6 — CID 3119484

IUPAC4-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCc1cccc(/N=N/c2c(N)n[nH]c2N)c1
InChIInChI=1S/C10H12N6/c1-6-3-2-4-7(5-6)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+
InChIKeyQILCBTCFTLVVLN-BUHFOSPRSA-N
MW216.25 g/mol
LogP2.30
Rot. Bonds2

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

4-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine (PubChem CID 3119484) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 4-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
PubChem CID3119484
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name4-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine
SMILESCc1cccc(/N=N/c2c(N)n[nH]c2N)c1
InChIInChI=1S/C10H12N6/c1-6-3-2-4-7(5-6)13-14-8-9(11)15-16-10(8)12/h2-5H,1H3,(H5,11,12,15,16)/b14-13+
InChIKeyQILCBTCFTLVVLN-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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Related Compounds

5-Amino-3-methyl-4-phenylpyrazole
CID 599501
3-Amino-5-phenylpyrazole
CID 136655
4-{(E)-[3-(trifluoromethyl)phenyl]diazenyl}-1H-pyrazole-3,5-diamine
CID 535910
4-[(4-Fluorophenyl)hydrazinylidene]pyrazole-3,5-diamine
CID 694527
4-o-Tolylazo-1H-pyrazole-3,5-diamine
CID 3146193
5-Amino-3-(4-methylphenyl)pyrazole
CID 736768
4-{2-[2-(Trifluoromethyl)phenyl]hydrazinylidene}pyrazolidine-3,5-diimine
CID 1492558
4-(phenyldiazenyl)-1H-pyrazole-3,5-diamine
CID 242623
3-(4-propylphenyl)-1H-pyrazol-5-amine
CID 2384284
5-(4-iodophenyl)-1H-pyrazol-3-amine
CID 876082
4-[(4-Methylphenyl)hydrazinylidene]pyrazole-3,5-diamine
CID 228621
4-[(E)-(2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 694525

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine (CID 3119484) is 4-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine is Cc1cccc(/N=N/c2c(N)n[nH]c2N)c1.
What is the InChIKey of 4-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
The InChIKey is QILCBTCFTLVVLN-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H12N6/c1-6-3-2-4-7(5-6)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-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine?
4-[(3-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-[(3-methylphenyl)diazenyl]-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 3119484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).