N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine

C14H19N3 — CID 103649741

IUPACN-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCc1ccc(CNCCn2cc(C)cn2)cc1
InChIInChI=1S/C14H19N3/c1-12-3-5-14(6-4-12)10-15-7-8-17-11-13(2)9-16-17/h3-6,9,11,15H,7-8,10H2,1-2H3
InChIKeyYGQNCYPVORLJBL-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.29
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine

N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine (PubChem CID 103649741) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
PubChem CID103649741
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
SMILESCc1ccc(CNCCn2cc(C)cn2)cc1
InChIInChI=1S/C14H19N3/c1-12-3-5-14(6-4-12)10-15-7-8-17-11-13(2)9-16-17/h3-6,9,11,15H,7-8,10H2,1-2H3
InChIKeyYGQNCYPVORLJBL-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

N-[(4-chlorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103649533
2-(4-methylpyrazol-1-yl)-N-[(4-prop-2-enoxyphenyl)methyl]ethanamine
CID 56780994
6-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]pyridin-3-ol
CID 113384054
N-(furan-3-ylmethyl)-3-(4-methylpyrazol-1-yl)propan-1-amine
CID 115607785
2-(4-methylpyrazol-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 114094649
N-(2-methoxyethyl)-2-(4-methylpyrazol-1-yl)ethanamine
CID 62565066
2-(4-methylpyrazol-1-yl)-N-[(1-pentan-3-ylpyrazol-3-yl)methyl]ethanamine
CID 103825944
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 105352551
N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 119127593
4-[3-[2-(4-methylpyrazol-1-yl)ethylamino]butyl]phenol
CID 104861935
N-[(2-chloro-3-fluorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 103897855
2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 55091573

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine (CID 103649741) is N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine is Cc1ccc(CNCCn2cc(C)cn2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
The InChIKey is YGQNCYPVORLJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-12-3-5-14(6-4-12)10-15-7-8-17-11-13(2)9-16-17/h3-6,9,11,15H,7-8,10H2,1-2H3.
What are the key properties of N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine?
N-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine 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-[(4-methylphenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 103649741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).