N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine

C15H22N4 — CID 82866805

IUPACN'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCc1ccc(N(CCCN)Cc2ccn(C)n2)cc1
InChIInChI=1S/C15H22N4/c1-13-4-6-15(7-5-13)19(10-3-9-16)12-14-8-11-18(2)17-14/h4-8,11H,3,9-10,12,16H2,1-2H3
InChIKeyZVRLRUXGEVBRFN-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.08
Rot. Bonds6

About N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine

N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine (PubChem CID 82866805) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
PubChem CID82866805
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCc1ccc(N(CCCN)Cc2ccn(C)n2)cc1
InChIInChI=1S/C15H22N4/c1-13-4-6-15(7-5-13)19(10-3-9-16)12-14-8-11-18(2)17-14/h4-8,11H,3,9-10,12,16H2,1-2H3
InChIKeyZVRLRUXGEVBRFN-UHFFFAOYSA-N
XLogP2.08
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine (CID 82866805) is N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine is Cc1ccc(N(CCCN)Cc2ccn(C)n2)cc1.
What is the InChIKey of N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is ZVRLRUXGEVBRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-13-4-6-15(7-5-13)19(10-3-9-16)12-14-8-11-18(2)17-14/h4-8,11H,3,9-10,12,16H2,1-2H3.
What are the key properties of N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine has a molecular weight of 258.37 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methylphenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 82866805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).