N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

C19H25N5 — CID 25284981

IUPACN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)Cc1cn[nH]c1-c1ccc(C)c(C)c1
InChIInChI=1S/C19H25N5/c1-5-24(12-16-9-21-23(4)11-16)13-18-10-20-22-19(18)17-7-6-14(2)15(3)8-17/h6-11H,5,12-13H2,1-4H3,(H,20,22)
InChIKeyUXHDOMZHUCJEHX-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.45
Rot. Bonds6

About N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 25284981) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID25284981
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC NameN-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)Cc1cn[nH]c1-c1ccc(C)c(C)c1
InChIInChI=1S/C19H25N5/c1-5-24(12-16-9-21-23(4)11-16)13-18-10-20-22-19(18)17-7-6-14(2)15(3)8-17/h6-11H,5,12-13H2,1-4H3,(H,20,22)
InChIKeyUXHDOMZHUCJEHX-UHFFFAOYSA-N
XLogP3.45
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (CID 25284981) is N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is CCN(Cc1cnn(C)c1)Cc1cn[nH]c1-c1ccc(C)c(C)c1.
What is the InChIKey of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is UXHDOMZHUCJEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-5-24(12-16-9-21-23(4)11-16)13-18-10-20-22-19(18)17-7-6-14(2)15(3)8-17/h6-11H,5,12-13H2,1-4H3,(H,20,22).
What are the key properties of N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 323.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 25284981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).