5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole

C14H12N2O2 — CID 73053099

IUPAC5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C14H12N2O2/c1-17-11-6-4-10(5-7-11)12-9-13(16-15-12)14-3-2-8-18-14/h2-9H,1H3,(H,15,16)
InChIKeyAYDRWCWYVGGAJI-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.35
Rot. Bonds3

About 5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole

5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole (PubChem CID 73053099) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole
PubChem CID73053099
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole
SMILESCOc1ccc(-c2cc(-c3ccco3)[nH]n2)cc1
InChIInChI=1S/C14H12N2O2/c1-17-11-6-4-10(5-7-11)12-9-13(16-15-12)14-3-2-8-18-14/h2-9H,1H3,(H,15,16)
InChIKeyAYDRWCWYVGGAJI-UHFFFAOYSA-N
XLogP3.35
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 1085887
3-(furan-2-yl)-1H-pyrazol-5-amine
CID 523183
5-(4-ethoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 3159737
3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 727435
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
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 135616972

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole (CID 73053099) is 5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole is COc1ccc(-c2cc(-c3ccco3)[nH]n2)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole?
The InChIKey is AYDRWCWYVGGAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-17-11-6-4-10(5-7-11)12-9-13(16-15-12)14-3-2-8-18-14/h2-9H,1H3,(H,15,16).
What are the key properties of 5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole?
5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole has a molecular weight of 240.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 73053099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).