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

C8H6N2O3 — CID 654018

IUPAC5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C8H6N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12)
InChIKeyGKPSFQIKCROJOB-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.37
Rot. Bonds2

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

5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid (PubChem CID 654018) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid
PubChem CID654018
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C8H6N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12)
InChIKeyGKPSFQIKCROJOB-UHFFFAOYSA-N
XLogP1.37
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylic acid
CID 651228
3-(furan-2-yl)-1H-pyrazol-5-amine
CID 523183
3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 727435
3-(furan-2-yl)-N'-[(4-methylcyclohexyl)carbonyl]-1H-pyrazole-5-carbohydrazide
CID 3263209
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
2-[5-(2-Furyl)-1H-pyrazol-3-yl]phenol
CID 614686
5-(1H-pyrazol-5-yl)furan-2-carbaldehyde
CID 17750888
5-(2-Furyl)-3-(trifluoromethyl)pyrazole
CID 12007125
N'-[(4-ethylcyclohexyl)carbonyl]-3-(furan-2-yl)-1H-pyrazole-5-carbohydrazide
CID 3417519
5-(furan-2-yl)-1H-pyrazole-3-carbohydrazide
CID 3649375
methyl 3-(furan-2-yl)-1H-pyrazole-5-carboxylate
CID 4518631
3-(2-Furyl)-N'-(1-(4-hydroxyphenyl)ethylidene)-1H-pyrazole-5-carbohydrazide
CID 135438887

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid (CID 654018) is 5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is GKPSFQIKCROJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-8(12)6-4-5(9-10-6)7-2-1-3-13-7/h1-4H,(H,9,10)(H,11,12).
What are the key properties of 5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid?
5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 178.15 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 654018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).