N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine

C20H25N5 — CID 131926386

IUPACN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine
SMILESCc1ccc(-c2[nH]ncc2CNCCCNc2ccc(C)cn2)cc1
InChIInChI=1S/C20H25N5/c1-15-4-7-17(8-5-15)20-18(14-24-25-20)13-21-10-3-11-22-19-9-6-16(2)12-23-19/h4-9,12,14,21H,3,10-11,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyFQEYLNNMHWRIDA-UHFFFAOYSA-N
MW335.46 g/mol
LogP3.68
Rot. Bonds8

About N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine

N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine (PubChem CID 131926386) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine
PubChem CID131926386
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC NameN-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine
SMILESCc1ccc(-c2[nH]ncc2CNCCCNc2ccc(C)cn2)cc1
InChIInChI=1S/C20H25N5/c1-15-4-7-17(8-5-15)20-18(14-24-25-20)13-21-10-3-11-22-19-9-6-16(2)12-23-19/h4-9,12,14,21H,3,10-11,13H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyFQEYLNNMHWRIDA-UHFFFAOYSA-N
XLogP3.68
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-phenyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propane-1,3-diamine
CID 166195819
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 5167963
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-4-morpholin-4-ylbutan-1-amine
CID 78881517
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4653228
3-(1H-benzimidazol-2-yl)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 78832057
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 4538755
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 78894809
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 86913988
1-[[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylamino]methyl]cyclohexan-1-ol
CID 119108448
N-(4-chlorobutyl)-5-methylpyridin-2-amine
CID 106845125

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine?
The IUPAC name of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine (CID 131926386) is N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine.
What is the SMILES notation for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine?
The canonical SMILES for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine is Cc1ccc(-c2[nH]ncc2CNCCCNc2ccc(C)cn2)cc1.
What is the InChIKey of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine?
The InChIKey is FQEYLNNMHWRIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-15-4-7-17(8-5-15)20-18(14-24-25-20)13-21-10-3-11-22-19-9-6-16(2)12-23-19/h4-9,12,14,21H,3,10-11,13H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine?
N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine has a molecular weight of 335.46 g/mol, XLogP of 3.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-N'-(5-methyl-2-pyridinyl)propane-1,3-diamine is sourced from PubChem (CID 131926386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).