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

C14H13N3OS — CID 54852202

IUPAC2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
SMILESNc1ccccc1OCc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C14H13N3OS/c15-11-4-1-2-5-13(11)18-9-10-8-12(17-16-10)14-6-3-7-19-14/h1-8H,9,15H2,(H,16,17)
InChIKeyQAERPROIGMHGTI-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.30
Rot. Bonds4

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

2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline (PubChem CID 54852202) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline.

Molecular Properties

Compound Name2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
PubChem CID54852202
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
SMILESNc1ccccc1OCc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C14H13N3OS/c15-11-4-1-2-5-13(11)18-9-10-8-12(17-16-10)14-6-3-7-19-14/h1-8H,9,15H2,(H,16,17)
InChIKeyQAERPROIGMHGTI-UHFFFAOYSA-N
XLogP3.30
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.30
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

4-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline
CID 54852075
2-[[3-(4-phenylphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852124
2-[[3-(4-methylphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852045
2-[[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852939
2-[[3-(4-ethoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852240
2-[[3-[4-(2-methylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853017
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile
CID 14911014
2-[[3-[3-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54853020
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)ethyl formate
CID 175261379
5-[[2-(trifluoromethyl)phenoxy]methyl]-1H-pyrazol-3-amine
CID 117215893
2-(pyridin-4-ylmethoxy)aniline
CID 16788077

Frequently Asked Questions

What is the IUPAC name of 2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline?
The IUPAC name of 2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline (CID 54852202) is 2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline.
What is the SMILES notation for 2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline?
The canonical SMILES for 2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline is Nc1ccccc1OCc1cc(-c2cccs2)n[nH]1.
What is the InChIKey of 2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline?
The InChIKey is QAERPROIGMHGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c15-11-4-1-2-5-13(11)18-9-10-8-12(17-16-10)14-6-3-7-19-14/h1-8H,9,15H2,(H,16,17).
What are the key properties of 2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline?
2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline has a molecular weight of 271.35 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methoxy]aniline is sourced from PubChem (CID 54852202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).