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

C15H21N3O2 — CID 19619118

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
SMILESCCn1cc(CNc2ccc(OC)cc2OC)c(C)n1
InChIInChI=1S/C15H21N3O2/c1-5-18-10-12(11(2)17-18)9-16-14-7-6-13(19-3)8-15(14)20-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeySNZQXDNLUBTXMG-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.84
Rot. Bonds6

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

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline (PubChem CID 19619118) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
PubChem CID19619118
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
SMILESCCn1cc(CNc2ccc(OC)cc2OC)c(C)n1
InChIInChI=1S/C15H21N3O2/c1-5-18-10-12(11(2)17-18)9-16-14-7-6-13(19-3)8-15(14)20-4/h6-8,10,16H,5,9H2,1-4H3
InChIKeySNZQXDNLUBTXMG-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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

1-(2,4-dimethoxyphenyl)-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]thiourea
CID 19324954
4-[(2,4-dimethoxyphenyl)methylamino]-1-ethylpyrazole-3-carboxylic acid
CID 19624826
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline
CID 115885486
N-[(2,4-dimethoxyphenyl)methyl]-2,4-dimethoxyaniline
CID 39427088
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19288632
3-(2,5-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 122561054
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methylaniline
CID 19626104
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine
CID 155810425
2-[(2,4-dimethoxyanilino)methyl]-5-methoxyphenol
CID 61268572
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
2,4-dimethoxy-N-[(4-methoxyphenyl)methyl]aniline
CID 18316983
N-[(4-chloro-2-methylphenyl)methyl]-2,4-dimethoxyaniline
CID 104853998

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline (CID 19619118) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline is CCn1cc(CNc2ccc(OC)cc2OC)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline?
The InChIKey is SNZQXDNLUBTXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-5-18-10-12(11(2)17-18)9-16-14-7-6-13(19-3)8-15(14)20-4/h6-8,10,16H,5,9H2,1-4H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline has a molecular weight of 275.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,4-dimethoxyaniline is sourced from PubChem (CID 19619118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).