3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid

C15H12N2O3 — CID 812110

IUPAC3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)n(-c3ccccc3)n2)o1
InChIInChI=1S/C15H12N2O3/c1-10-7-8-14(20-10)12-9-13(15(18)19)17(16-12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)
InChIKeyRQQOCMBMBQTONX-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.14
Rot. Bonds3

About 3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid

3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid (PubChem CID 812110) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
PubChem CID812110
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)n(-c3ccccc3)n2)o1
InChIInChI=1S/C15H12N2O3/c1-10-7-8-14(20-10)12-9-13(15(18)19)17(16-12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19)
InChIKeyRQQOCMBMBQTONX-UHFFFAOYSA-N
XLogP3.14
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxamide
CID 812311
[3-(5-methylfuran-2-yl)-1-phenylpyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 812317
3-(5-methylfuran-2-yl)-N-pentyl-1-phenylpyrazole-5-carboxamide
CID 42759443
3-(5-methylfuran-2-yl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4654374
(4-benzhydrylpiperazin-1-yl)-[1-(4-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]methanone
CID 5144402
diethyl-[(4R)-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carbonyl]amino]pentyl]azanium
CID 7373893
1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 7404675
[1-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-piperidin-1-ylmethanone
CID 42761946
1-[1-methyl-3-(5-methylfuran-2-yl)pyrazol-5-yl]ethanone
CID 115092922
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7499175
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7499176
N,N-diethyl-3-(5-methylfuran-2-yl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 4234199

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid?
The IUPAC name of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid (CID 812110) is 3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid?
The canonical SMILES for 3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)n(-c3ccccc3)n2)o1.
What is the InChIKey of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid?
The InChIKey is RQQOCMBMBQTONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-10-7-8-14(20-10)12-9-13(15(18)19)17(16-12)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19).
What are the key properties of 3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid?
3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylfuran-2-yl)-1-phenylpyrazole-5-carboxylic acid is sourced from PubChem (CID 812110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).