2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

C25H29N7 — CID 111823431

IUPAC2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCc1ccc(-n2nc(CCC/N=C(\N)Nc3cccc4c3CCCC4)c(C#N)c2N)cc1
InChIInChI=1S/C25H29N7/c1-17-11-13-19(14-12-17)32-24(27)21(16-26)23(31-32)10-5-15-29-25(28)30-22-9-4-7-18-6-2-3-8-20(18)22/h4,7,9,11-14H,2-3,5-6,8,10,15,27H2,1H3,(H3,28,29,30)
InChIKeyPSMNBDZYHUJPFD-UHFFFAOYSA-N
MW427.56 g/mol
LogP3.87
Rot. Bonds6

About 2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine

2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (PubChem CID 111823431) has the molecular formula C25H29N7 and a molecular weight of 427.56 g/mol. Its IUPAC name is 2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.

Molecular Properties

Compound Name2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
PubChem CID111823431
Molecular FormulaC25H29N7
Molecular Weight427.56 g/mol
Exact Mass427.25
IUPAC Name2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
SMILESCc1ccc(-n2nc(CCC/N=C(\N)Nc3cccc4c3CCCC4)c(C#N)c2N)cc1
InChIInChI=1S/C25H29N7/c1-17-11-13-19(14-12-17)32-24(27)21(16-26)23(31-32)10-5-15-29-25(28)30-22-9-4-7-18-6-2-3-8-20(18)22/h4,7,9,11-14H,2-3,5-6,8,10,15,27H2,1H3,(H3,28,29,30)
InChIKeyPSMNBDZYHUJPFD-UHFFFAOYSA-N
XLogP3.87
TPSA118.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.56
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine 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

2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111823434
1-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-(cyclobutylmethyl)guanidine
CID 111823473
2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111823371
2-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111088728
2-[3-[5-amino-4-cyano-1-(4-fluorophenyl)pyrazol-3-yl]propyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111823386
2-[3-(dimethylamino)propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111720610
2-(2-hydroxyethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111720591
2-[2-(6-methyl-2-pyridinyl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 120662500
2-[2-(5-methylpyrazin-2-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 122098435
1-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-2-[(3,4-dimethoxyphenyl)methyl]guanidine
CID 111823469
2-(5-methoxypentyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine;hydroiodide
CID 111721526
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111721247

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The IUPAC name of 2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine (CID 111823431) is 2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine.
What is the SMILES notation for 2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The canonical SMILES for 2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is Cc1ccc(-n2nc(CCC/N=C(\N)Nc3cccc4c3CCCC4)c(C#N)c2N)cc1.
What is the InChIKey of 2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
The InChIKey is PSMNBDZYHUJPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7/c1-17-11-13-19(14-12-17)32-24(27)21(16-26)23(31-32)10-5-15-29-25(28)30-22-9-4-7-18-6-2-3-8-20(18)22/h4,7,9,11-14H,2-3,5-6,8,10,15,27H2,1H3,(H3,28,29,30).
What are the key properties of 2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine?
2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine has a molecular weight of 427.56 g/mol, XLogP of 3.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-amino-4-cyano-1-(4-methylphenyl)pyrazol-3-yl]propyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine is sourced from PubChem (CID 111823431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).