N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline

C15H21N3O2 — CID 115885486

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
SMILESCCc1nn(C)cc1CNc1ccc(OC)cc1OC
InChIInChI=1S/C15H21N3O2/c1-5-13-11(10-18(2)17-13)9-16-14-7-6-12(19-3)8-15(14)20-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyQARYRGCDSVVSCU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.61
Rot. Bonds6

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline (PubChem CID 115885486) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
PubChem CID115885486
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
SMILESCCc1nn(C)cc1CNc1ccc(OC)cc1OC
InChIInChI=1S/C15H21N3O2/c1-5-13-11(10-18(2)17-13)9-16-14-7-6-12(19-3)8-15(14)20-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeyQARYRGCDSVVSCU-UHFFFAOYSA-N
XLogP2.61
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-3-ethyl-1-methylpyrazol-4-amine
CID 103909000
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
CID 19619118
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-fluoro-3-methoxyaniline
CID 114838534
3-ethoxy-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 115885541
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 115990421
4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 112668861
4-methoxy-2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]aniline
CID 62872595
2,5-dibromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112668885
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
3-bromo-5-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methoxyaniline
CID 115885823
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-fluorobenzoic acid
CID 115991752

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline (CID 115885486) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline is CCc1nn(C)cc1CNc1ccc(OC)cc1OC.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline?
The InChIKey is QARYRGCDSVVSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-13-11(10-18(2)17-13)9-16-14-7-6-12(19-3)8-15(14)20-4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline has a molecular weight of 275.35 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline is sourced from PubChem (CID 115885486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).