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

C19H21N3O2 — CID 54853247

IUPAC4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline
SMILESCCOCCOc1ccc(-c2cc(-c3ccc(N)cc3)[nH]n2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-23-11-12-24-17-9-5-15(6-10-17)19-13-18(21-22-19)14-3-7-16(20)8-4-14/h3-10,13H,2,11-12,20H2,1H3,(H,21,22)
InChIKeyDITUDSLQQFIJIX-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.74
Rot. Bonds7

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

4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline (PubChem CID 54853247) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline.

Molecular Properties

Compound Name4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline
PubChem CID54853247
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline
SMILESCCOCCOc1ccc(-c2cc(-c3ccc(N)cc3)[nH]n2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-23-11-12-24-17-9-5-15(6-10-17)19-13-18(21-22-19)14-3-7-16(20)8-4-14/h3-10,13H,2,11-12,20H2,1H3,(H,21,22)
InChIKeyDITUDSLQQFIJIX-UHFFFAOYSA-N
XLogP3.74
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyethoxy)aniline
CID 16641299
1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine
CID 54847503
5-(4-butoxyphenyl)-3-[3-[5-(4-butoxyphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529574
4-(3-ethoxypropoxy)aniline
CID 43365878
4-[4-[4-[2-(4-aminophenoxy)ethoxy]phenyl]phenyl]aniline
CID 145159211
4-[3-[3-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]aniline
CID 54853486
5-amino-3-(4-butoxyphenyl)-1H-pyridazin-6-one
CID 82467525
3-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-6-methyl-1,2,4,5-tetrazine
CID 168747424
[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol
CID 54847305
3-(4-octoxyphenyl)-5-[5-[3-(4-octoxyphenyl)-1H-pyrazol-5-yl]thiophen-2-yl]-1H-pyrazole
CID 132560374
4-[[3-(3-pentoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852303
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline?
The IUPAC name of 4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline (CID 54853247) is 4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline.
What is the SMILES notation for 4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline?
The canonical SMILES for 4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline is CCOCCOc1ccc(-c2cc(-c3ccc(N)cc3)[nH]n2)cc1.
What is the InChIKey of 4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline?
The InChIKey is DITUDSLQQFIJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-23-11-12-24-17-9-5-15(6-10-17)19-13-18(21-22-19)14-3-7-16(20)8-4-14/h3-10,13H,2,11-12,20H2,1H3,(H,21,22).
What are the key properties of 4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline?
4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline has a molecular weight of 323.40 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline is sourced from PubChem (CID 54853247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).