3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline

C20H23N3O2 — CID 54852082

IUPAC3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
SMILESCC(C)COc1cccc(-c2cc(COc3cccc(N)c3)[nH]n2)c1
InChIInChI=1S/C20H23N3O2/c1-14(2)12-24-18-7-3-5-15(9-18)20-11-17(22-23-20)13-25-19-8-4-6-16(21)10-19/h3-11,14H,12-13,21H2,1-2H3,(H,22,23)
InChIKeyCHFLGXSOCHDWNT-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.27
Rot. Bonds7

About 3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline

3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline (PubChem CID 54852082) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline.

Molecular Properties

Compound Name3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
PubChem CID54852082
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
SMILESCC(C)COc1cccc(-c2cc(COc3cccc(N)c3)[nH]n2)c1
InChIInChI=1S/C20H23N3O2/c1-14(2)12-24-18-7-3-5-15(9-18)20-11-17(22-23-20)13-25-19-8-4-6-16(21)10-19/h3-11,14H,12-13,21H2,1-2H3,(H,22,23)
InChIKeyCHFLGXSOCHDWNT-UHFFFAOYSA-N
XLogP4.27
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-[4-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54851930
3-[5-[(4-tert-butylphenoxy)methyl]-1H-pyrazol-3-yl]aniline
CID 54853371
4-[[3-(3-pentoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852303
2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853017
3-[5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1H-pyrazol-3-yl]aniline
CID 54853417
3-[3-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446055
3-[5-[(2,4-ditert-butylphenoxy)methyl]-1H-pyrazol-3-yl]aniline
CID 54853065
2-[[3-[3-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853248
4-(methoxymethyl)-6-[3-(2-methylpropoxy)phenyl]pyrimidine
CID 74242452
2-[[3-[3-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853020
[2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-pyridinyl]methanamine
CID 82453076
3-(3-aminophenoxy)-2-methylpropanenitrile
CID 61036010

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline?
The IUPAC name of 3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline (CID 54852082) is 3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline.
What is the SMILES notation for 3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline?
The canonical SMILES for 3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline is CC(C)COc1cccc(-c2cc(COc3cccc(N)c3)[nH]n2)c1.
What is the InChIKey of 3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline?
The InChIKey is CHFLGXSOCHDWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)12-24-18-7-3-5-15(9-18)20-11-17(22-23-20)13-25-19-8-4-6-16(21)10-19/h3-11,14H,12-13,21H2,1-2H3,(H,22,23).
What are the key properties of 3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline?
3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline has a molecular weight of 337.42 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline is sourced from PubChem (CID 54852082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).