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

C14H20N4 — CID 55025337

IUPACN'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESNCCCNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H20N4/c15-7-4-8-16-9-14-10-17-18(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,10,12,16H,4,7-9,11,15H2
InChIKeyBBJZLHCMGGTHQG-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.37
Rot. Bonds7

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

N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 55025337) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
PubChem CID55025337
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
SMILESNCCCNCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C14H20N4/c15-7-4-8-16-9-14-10-17-18(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,10,12,16H,4,7-9,11,15H2
InChIKeyBBJZLHCMGGTHQG-UHFFFAOYSA-N
XLogP1.37
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine (CID 55025337) is N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine is NCCCNCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is BBJZLHCMGGTHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c15-7-4-8-16-9-14-10-17-18(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,10,12,16H,4,7-9,11,15H2.
What are the key properties of N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine?
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 244.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 55025337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).