4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine

C13H12N6 — CID 135510724

IUPAC4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1cccc2ccccc12
InChIInChI=1S/C13H12N6/c14-12-11(13(15)19-18-12)17-16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H5,14,15,18,19)/b17-16+
InChIKeyULGBLRQVUYBYQK-WUKNDPDISA-N
MW252.28 g/mol
LogP3.14
Rot. Bonds2

About 4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine

4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine (PubChem CID 135510724) has the molecular formula C13H12N6 and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine.

Molecular Properties

Compound Name4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine
PubChem CID135510724
Molecular FormulaC13H12N6
Molecular Weight252.28 g/mol
Exact Mass252.11
IUPAC Name4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine
SMILESNc1n[nH]c(N)c1/N=N/c1cccc2ccccc12
InChIInChI=1S/C13H12N6/c14-12-11(13(15)19-18-12)17-16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H5,14,15,18,19)/b17-16+
InChIKeyULGBLRQVUYBYQK-WUKNDPDISA-N
XLogP3.14
TPSA105.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.14
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'}

Analyze 4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(isoquinolin-5-yldiazenyl)-1H-pyrazole-3,5-diamine
CID 135744091
1-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]naphthalen-2-ol
CID 135418326
CID 175078571
CID 175078571
4-[(2,6-dimethoxy-3-pyridinyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135744090
4-[(5-chloro-2-fluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135525489
4-[(2,4-difluorophenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 135520424
5-amino-4-(naphthalen-1-yldiazenyl)-2-phenyl-1H-pyrazol-3-one
CID 700969
4-[[2,4-bis(trifluoromethyl)phenyl]diazenyl]-1H-pyrazole-3,5-diamine
CID 135461015
4-[(3-methoxyphenyl)diazenyl]-1H-pyrazole-3,5-diamine
CID 1494746
bis[3-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]phenyl]methanone
CID 135438535
[2-(naphthalen-1-yldiazenyl)phenyl]methanamine
CID 161282982
naphthalen-1-yl-(2-naphthalen-1-ylnaphthalen-1-yl)diazene
CID 87715057

Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine?
The IUPAC name of 4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine (CID 135510724) is 4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine.
What is the SMILES notation for 4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine?
The canonical SMILES for 4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine is Nc1n[nH]c(N)c1/N=N/c1cccc2ccccc12.
What is the InChIKey of 4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine?
The InChIKey is ULGBLRQVUYBYQK-WUKNDPDISA-N. The full InChI is InChI=1S/C13H12N6/c14-12-11(13(15)19-18-12)17-16-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H5,14,15,18,19)/b17-16+.
What are the key properties of 4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine?
4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine has a molecular weight of 252.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-yldiazenyl)-1H-pyrazole-3,5-diamine is sourced from PubChem (CID 135510724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).