4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline

C18H19N3O3 — CID 54852116

IUPAC4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
SMILESCOc1ccc(-c2cc(COc3ccc(N)cc3)[nH]n2)c(OC)c1
InChIInChI=1S/C18H19N3O3/c1-22-15-7-8-16(18(10-15)23-2)17-9-13(20-21-17)11-24-14-5-3-12(19)4-6-14/h3-10H,11,19H2,1-2H3,(H,20,21)
InChIKeyJXSBPRGEFAHWDF-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.26
Rot. Bonds6

About 4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline

4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline (PubChem CID 54852116) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline.

Molecular Properties

Compound Name4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
PubChem CID54852116
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
SMILESCOc1ccc(-c2cc(COc3ccc(N)cc3)[nH]n2)c(OC)c1
InChIInChI=1S/C18H19N3O3/c1-22-15-7-8-16(18(10-15)23-2)17-9-13(20-21-17)11-24-14-5-3-12(19)4-6-14/h3-10H,11,19H2,1-2H3,(H,20,21)
InChIKeyJXSBPRGEFAHWDF-UHFFFAOYSA-N
XLogP3.26
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852341
4-[[3-(2-heptoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852118
4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852075
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899
4-[[3-(3-pentoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852303
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbohydrazide
CID 82446236
3-[5-[(4-tert-butylphenoxy)methyl]-1H-pyrazol-3-yl]aniline
CID 54853371
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 82446214
6-chloro-3-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methylsulfanyl]-1H-indole
CID 175416690
4-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19626867
4-(2,4-dimethoxyphenyl)imidazole-1,2-diamine
CID 82290592
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline?
The IUPAC name of 4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline (CID 54852116) is 4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline.
What is the SMILES notation for 4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline?
The canonical SMILES for 4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline is COc1ccc(-c2cc(COc3ccc(N)cc3)[nH]n2)c(OC)c1.
What is the InChIKey of 4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline?
The InChIKey is JXSBPRGEFAHWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-22-15-7-8-16(18(10-15)23-2)17-9-13(20-21-17)11-24-14-5-3-12(19)4-6-14/h3-10H,11,19H2,1-2H3,(H,20,21).
What are the key properties of 4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline?
4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline has a molecular weight of 325.37 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline is sourced from PubChem (CID 54852116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).