2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline

C20H23N3O2 — CID 54853017

IUPAC2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
SMILESCC(C)COc1ccc(-c2cc(COc3ccccc3N)[nH]n2)cc1
InChIInChI=1S/C20H23N3O2/c1-14(2)12-24-17-9-7-15(8-10-17)19-11-16(22-23-19)13-25-20-6-4-3-5-18(20)21/h3-11,14H,12-13,21H2,1-2H3,(H,22,23)
InChIKeyWUMZCVBBAPQQBU-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.27
Rot. Bonds7

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

2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline (PubChem CID 54853017) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline.

Molecular Properties

Compound Name2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
PubChem CID54853017
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
SMILESCC(C)COc1ccc(-c2cc(COc3ccccc3N)[nH]n2)cc1
InChIInChI=1S/C20H23N3O2/c1-14(2)12-24-17-9-7-15(8-10-17)19-11-16(22-23-19)13-25-20-6-4-3-5-18(20)21/h3-11,14H,12-13,21H2,1-2H3,(H,22,23)
InChIKeyWUMZCVBBAPQQBU-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

2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852240
2-[[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852939
2-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852045
2-[[3-(4-phenylphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852124
3-[[3-[3-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852082
2-[[3-[3-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853248
3-[[3-[4-(3-methylbutoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54851930
2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852202
2-[[3-[3-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853020
2-[4-(2-methylpropoxy)phenyl]pyridine
CID 57293788
4-[[3-[2-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852341
6-[4-(2-methylpropoxy)phenyl]pyrimidin-4-amine
CID 82293784

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline?
The IUPAC name of 2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline (CID 54853017) is 2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline.
What is the SMILES notation for 2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline?
The canonical SMILES for 2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline is CC(C)COc1ccc(-c2cc(COc3ccccc3N)[nH]n2)cc1.
What is the InChIKey of 2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline?
The InChIKey is WUMZCVBBAPQQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14(2)12-24-17-9-7-15(8-10-17)19-11-16(22-23-19)13-25-20-6-4-3-5-18(20)21/h3-11,14H,12-13,21H2,1-2H3,(H,22,23).
What are the key properties of 2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline?
2-[[3-[4-(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 2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline is sourced from PubChem (CID 54853017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).