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

C13H11N3O — CID 10823070

IUPAC2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline
SMILESNc1ccccc1-c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H11N3O/c14-10-5-2-1-4-9(10)11-8-12(16-15-11)13-6-3-7-17-13/h1-8H,14H2,(H,15,16)
InChIKeyGUONJKOWMBTFIE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.92
Rot. Bonds2

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

2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline (PubChem CID 10823070) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline
PubChem CID10823070
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline
SMILESNc1ccccc1-c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H11N3O/c14-10-5-2-1-4-9(10)11-8-12(16-15-11)13-6-3-7-17-13/h1-8H,14H2,(H,15,16)
InChIKeyGUONJKOWMBTFIE-UHFFFAOYSA-N
XLogP2.92
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 589142
methyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 1243311
2-(5-(furan-2-yl)-1H-pyrazol-3-yl)naphthalen-1-ol
CID 719865
3-(furan-2-yl)-1H-pyrazol-5-amine
CID 523183
5-(4-ethoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 3159737
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
3-(furan-2-yl)-N'-[(4-methylcyclohexyl)carbonyl]-1H-pyrazole-5-carbohydrazide
CID 3263209
5-(5-methylfuran-2-yl)-N-[(E)-(4-methylphenyl)methylideneamino]-1H-pyrazole-3-carboxamide
CID 6146666
3-(4-ethylphenyl)-N'-[(E)-furan-2-ylmethylidene]-1H-pyrazole-5-carbohydrazide
CID 6888582
4-[3-(2-furyl)-1H-pyrazol-5-yl]piperidine
CID 2764503
4-bromo-2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol
CID 4407147
1-(6-(Furan-2-yl)-pyridazin-3-yl)-7-phenylheptan-1-one
CID 24950527

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline?
The IUPAC name of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline (CID 10823070) is 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline.
What is the SMILES notation for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline?
The canonical SMILES for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline is Nc1ccccc1-c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline?
The InChIKey is GUONJKOWMBTFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-10-5-2-1-4-9(10)11-8-12(16-15-11)13-6-3-7-17-13/h1-8H,14H2,(H,15,16).
What are the key properties of 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline?
2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline has a molecular weight of 225.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-1H-pyrazol-3-yl]aniline is sourced from PubChem (CID 10823070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).