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

C16H23N3O2 — CID 60935772

IUPAC3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
SMILESCOCCOc1cccc(NCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H23N3O2/c1-12-16(13(2)19(3)18-12)11-17-14-6-5-7-15(10-14)21-9-8-20-4/h5-7,10,17H,8-9,11H2,1-4H3
InChIKeyWVFBXIGISWJABV-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.67
Rot. Bonds7

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

3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline (PubChem CID 60935772) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
PubChem CID60935772
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
SMILESCOCCOc1cccc(NCc2c(C)nn(C)c2C)c1
InChIInChI=1S/C16H23N3O2/c1-12-16(13(2)19(3)18-12)11-17-14-6-5-7-15(10-14)21-9-8-20-4/h5-7,10,17H,8-9,11H2,1-4H3
InChIKeyWVFBXIGISWJABV-UHFFFAOYSA-N
XLogP2.67
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 60934662
3-(2-methoxyethoxy)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473686
3-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 28618675
N-[[3-(2-methoxyethoxy)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 75400539
2-[3,5-dimethyl-4-[[3-(3-methylbutoxy)anilino]methyl]pyrazol-1-yl]ethanol
CID 110907633
3-(2-methoxyethoxy)-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957381
N-[(3,4-dimethylphenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60935517
N-[(2-chloro-6-fluorophenyl)methyl]-3-(2-methoxyethoxy)aniline
CID 60944121
3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43717912
N-(furan-3-ylmethyl)-3-(2-methoxyethoxy)aniline
CID 63204186
4-(3-methoxypropylsulfanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 84591237
N-[(2-ethylpyrazol-3-yl)methyl]-3-(2-methoxyethoxy)aniline
CID 115762009

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline (CID 60935772) is 3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline is COCCOc1cccc(NCc2c(C)nn(C)c2C)c1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
The InChIKey is WVFBXIGISWJABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-16(13(2)19(3)18-12)11-17-14-6-5-7-15(10-14)21-9-8-20-4/h5-7,10,17H,8-9,11H2,1-4H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline?
3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline has a molecular weight of 289.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 60935772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).