3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid

C15H12N2O4 — CID 82370914

IUPAC3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1cccc(-n2nc(-c3ccco3)cc2C(=O)O)c1
InChIInChI=1S/C15H12N2O4/c1-20-11-5-2-4-10(8-11)17-13(15(18)19)9-12(16-17)14-6-3-7-21-14/h2-9H,1H3,(H,18,19)
InChIKeyASBNDCQFFKPAQF-UHFFFAOYSA-N
MW284.27 g/mol
LogP2.84
Rot. Bonds4

About 3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid

3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid (PubChem CID 82370914) has the molecular formula C15H12N2O4 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
PubChem CID82370914
Molecular FormulaC15H12N2O4
Molecular Weight284.27 g/mol
Exact Mass284.08
IUPAC Name3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid
SMILESCOc1cccc(-n2nc(-c3ccco3)cc2C(=O)O)c1
InChIInChI=1S/C15H12N2O4/c1-20-11-5-2-4-10(8-11)17-13(15(18)19)9-12(16-17)14-6-3-7-21-14/h2-9H,1H3,(H,18,19)
InChIKeyASBNDCQFFKPAQF-UHFFFAOYSA-N
XLogP2.84
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethylphenyl)-3-(furan-2-yl)pyrazole-5-carboxylic acid
CID 82370881
1-(3-methoxyphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370915
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
3-(furan-2-yl)-N-(2-methoxyethyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42762387
3-(furan-2-yl)-N'-[2-(4-methoxyanilino)acetyl]-1-phenylpyrazole-5-carbohydrazide
CID 18228202
3-(furan-2-yl)-N-(2-hydroxypropyl)-1-phenylpyrazole-5-carboxamide
CID 78855996
1-(3-chlorophenyl)-3-(furan-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 771691
N-[(2R)-butan-2-yl]-1-(3-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 771696
[1-(3-chlorophenyl)-3-(furan-2-yl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 1053517
(4-benzhydrylpiperazin-1-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 1053847
3-(furan-2-yl)-1-(3-methylphenyl)-N-propylpyrazole-5-carboxamide
CID 3661667
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559789

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid?
The IUPAC name of 3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid (CID 82370914) is 3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid is COc1cccc(-n2nc(-c3ccco3)cc2C(=O)O)c1.
What is the InChIKey of 3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid?
The InChIKey is ASBNDCQFFKPAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4/c1-20-11-5-2-4-10(8-11)17-13(15(18)19)9-12(16-17)14-6-3-7-21-14/h2-9H,1H3,(H,18,19).
What are the key properties of 3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid?
3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(3-methoxyphenyl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 82370914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).