N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine

C14H19N3 — CID 61070927

IUPACN-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine
SMILESCc1ccc(CNCCn2cccn2)c(C)c1
InChIInChI=1S/C14H19N3/c1-12-4-5-14(13(2)10-12)11-15-7-9-17-8-3-6-16-17/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeyYXRYMGLHCSGOFE-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.29
Rot. Bonds5

About N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine

N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 61070927) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID61070927
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine
SMILESCc1ccc(CNCCn2cccn2)c(C)c1
InChIInChI=1S/C14H19N3/c1-12-4-5-14(13(2)10-12)11-15-7-9-17-8-3-6-16-17/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeyYXRYMGLHCSGOFE-UHFFFAOYSA-N
XLogP2.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-pyrazol-1-yl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 62473154
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 79604843
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070547
N-[[3,5-difluoro-2-(4-methyl-2-pyridinyl)phenyl]methyl]-2-pyrazol-1-ylethanamine
CID 58683070
1-[2-(2,4-dimethylphenyl)ethyl]-3-ethyl-2-(3-pyrazol-1-ylpropyl)guanidine
CID 111905543
N-[(1-methylindol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 107235485
1-[(2,4-dimethylphenyl)methyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 55836723
N-[(2-bromo-3,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 56781264
2-ethoxy-6-[(2-pyrazol-1-ylethylamino)methyl]phenol
CID 61459821
N-[1-(2,5-dimethylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 112700053
N-[2-[(2,4-dimethylphenyl)methylamino]ethyl]-2-methylpropanamide
CID 28650775
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 43705670

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine (CID 61070927) is N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine is Cc1ccc(CNCCn2cccn2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is YXRYMGLHCSGOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12-4-5-14(13(2)10-12)11-15-7-9-17-8-3-6-16-17/h3-6,8,10,15H,7,9,11H2,1-2H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine?
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 229.33 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 61070927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).