4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline

C16H23N3O — CID 62872595

IUPAC4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCOc1ccc(NCc2cn(C)nc2C(C)C)c(C)c1
InChIInChI=1S/C16H23N3O/c1-11(2)16-13(10-19(4)18-16)9-17-15-7-6-14(20-5)8-12(15)3/h6-8,10-11,17H,9H2,1-5H3
InChIKeyUZDMEMWNHRYUKC-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.47
Rot. Bonds5

About 4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline

4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline (PubChem CID 62872595) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
PubChem CID62872595
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
SMILESCOc1ccc(NCc2cn(C)nc2C(C)C)c(C)c1
InChIInChI=1S/C16H23N3O/c1-11(2)16-13(10-19(4)18-16)9-17-15-7-6-14(20-5)8-12(15)3/h6-8,10-11,17H,9H2,1-5H3
InChIKeyUZDMEMWNHRYUKC-UHFFFAOYSA-N
XLogP3.47
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
2-methoxy-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 43757861
2,4-dibromo-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 43780921
4-methoxy-2-methyl-N-[(3-methylimidazol-4-yl)methyl]aniline
CID 66119597
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
CID 115885486
4-methoxy-2-methyl-N-(2-propan-2-yloxyethyl)aniline
CID 62872602
2-bromo-4-chloro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 81262106
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-methoxy-2-methylaniline
CID 62872974
4-[(4-methoxy-2-methylanilino)methyl]benzene-1,2,3-triol
CID 103953018
3-bromo-4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 55201550
3-N-(4-methoxy-2-methylphenyl)-1-methylpyrazole-3,4-diamine
CID 103078443
3-N,3-N,4-trimethyl-1-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]benzene-1,3-diamine
CID 115376869

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline?
The IUPAC name of 4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline (CID 62872595) is 4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline.
What is the SMILES notation for 4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline?
The canonical SMILES for 4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline is COc1ccc(NCc2cn(C)nc2C(C)C)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline?
The InChIKey is UZDMEMWNHRYUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)16-13(10-19(4)18-16)9-17-15-7-6-14(20-5)8-12(15)3/h6-8,10-11,17H,9H2,1-5H3.
What are the key properties of 4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline?
4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline has a molecular weight of 273.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline is sourced from PubChem (CID 62872595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).