2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline

C14H19N3O — CID 61225934

IUPAC2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
SMILESCOc1ccc(Cn2nc(C)c(C)c2C)cc1N
InChIInChI=1S/C14H19N3O/c1-9-10(2)16-17(11(9)3)8-12-5-6-14(18-4)13(15)7-12/h5-7H,8,15H2,1-4H3
InChIKeyZAOXRLMGEZGSIV-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.45
Rot. Bonds3

About 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline

2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline (PubChem CID 61225934) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
PubChem CID61225934
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline
SMILESCOc1ccc(Cn2nc(C)c(C)c2C)cc1N
InChIInChI=1S/C14H19N3O/c1-9-10(2)16-17(11(9)3)8-12-5-6-14(18-4)13(15)7-12/h5-7H,8,15H2,1-4H3
InChIKeyZAOXRLMGEZGSIV-UHFFFAOYSA-N
XLogP2.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 65340092
N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 106790205
2-[1-[(4-methoxy-3-methylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 95475709
1-[(3-bromo-4-methoxyphenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784664
5-(fluoromethyl)-2-methoxyaniline
CID 84650155
1-[(3,4-dimethoxyphenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565512
2-[(3-fluoro-4-methoxyphenyl)methyl]-5-methylpyrazol-3-amine
CID 65096517
methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate
CID 103864158
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methoxybenzoic acid
CID 65339469
[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785930
5-[[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]methyl]-2-methoxybenzonitrile
CID 65344339
2-bromo-5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]aniline
CID 115557341

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline?
The IUPAC name of 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline (CID 61225934) is 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline.
What is the SMILES notation for 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline?
The canonical SMILES for 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline is COc1ccc(Cn2nc(C)c(C)c2C)cc1N.
What is the InChIKey of 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline?
The InChIKey is ZAOXRLMGEZGSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-10(2)16-17(11(9)3)8-12-5-6-14(18-4)13(15)7-12/h5-7H,8,15H2,1-4H3.
What are the key properties of 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline?
2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline has a molecular weight of 245.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]aniline is sourced from PubChem (CID 61225934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).