N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine

C14H19N3 — CID 79484479

IUPACN-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn[nH]c1-c1ccc(C)cc1C
InChIInChI=1S/C14H19N3/c1-4-15-8-12-9-16-17-14(12)13-6-5-10(2)7-11(13)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyPPFYBSOUSOUUQW-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.80
Rot. Bonds4

About N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine

N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine (PubChem CID 79484479) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
PubChem CID79484479
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cn[nH]c1-c1ccc(C)cc1C
InChIInChI=1S/C14H19N3/c1-4-15-8-12-9-16-17-14(12)13-6-5-10(2)7-11(13)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17)
InChIKeyPPFYBSOUSOUUQW-UHFFFAOYSA-N
XLogP2.80
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 79485160
5-(2,4-dimethylphenyl)-4-iodo-1H-pyrazole
CID 63734143
5-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylate
CID 6957868
N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485255
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 17461528
N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 23005780
5-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile
CID 39096346
N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485179
N-[[5-(4-bromothiophen-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 107355493
2-methyl-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine;oxalic acid
CID 17461527
N-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484566
N-[[5-(2-methoxy-5-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79484926

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine (CID 79484479) is N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine is CCNCc1cn[nH]c1-c1ccc(C)cc1C.
What is the InChIKey of N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
The InChIKey is PPFYBSOUSOUUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-15-8-12-9-16-17-14(12)13-6-5-10(2)7-11(13)3/h5-7,9,15H,4,8H2,1-3H3,(H,16,17).
What are the key properties of N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine?
N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 79484479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).