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

C8H6N2O3 — CID 39870608

IUPAC3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccoc2)n[nH]1
InChIInChI=1S/C8H6N2O3/c11-8(12)7-3-6(9-10-7)5-1-2-13-4-5/h1-4H,(H,9,10)(H,11,12)
InChIKeyQGSGAUUMYVXRLX-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.37
Rot. Bonds2

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

3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 39870608) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID39870608
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2ccoc2)n[nH]1
InChIInChI=1S/C8H6N2O3/c11-8(12)7-3-6(9-10-7)5-1-2-13-4-5/h1-4H,(H,9,10)(H,11,12)
InChIKeyQGSGAUUMYVXRLX-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

ethyl 3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 589142
5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid
CID 654018
3-(3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 1399024
3-(5-methylfuran-2-yl)-1H-pyrazole-5-carboxylic acid
CID 651228
3-(4-Methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 1085887
3-(2,5-dimethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3161252
5-(4-ethoxyphenyl)-1H-pyrazole-3-carboxylic acid
CID 3159737
methyl 3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 2042513
4-bromo-2-[5-(furan-2-yl)-1H-pyrazol-3-yl]phenol
CID 4407147
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
2-[5-(2-Furyl)-1H-pyrazol-3-yl]phenol
CID 614686
methyl 3-(4-butoxyphenyl)-1H-pyrazole-5-carboxylate
CID 16654604

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid (CID 39870608) is 3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(-c2ccoc2)n[nH]1.
What is the InChIKey of 3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is QGSGAUUMYVXRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-8(12)7-3-6(9-10-7)5-1-2-13-4-5/h1-4H,(H,9,10)(H,11,12).
What are the key properties of 3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid?
3-(furan-3-yl)-1H-pyrazole-5-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 3-(furan-3-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 39870608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).