3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid

C9H8N2O3 — CID 42281964

IUPAC3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(-c2ccco2)n1
InChIInChI=1S/C9H8N2O3/c1-11-5-6(9(12)13)8(10-11)7-3-2-4-14-7/h2-5H,1H3,(H,12,13)
InChIKeyOZEWXBCUZMIVAQ-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.38
Rot. Bonds2

About 3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid

3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 42281964) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid
PubChem CID42281964
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1cc(C(=O)O)c(-c2ccco2)n1
InChIInChI=1S/C9H8N2O3/c1-11-5-6(9(12)13)8(10-11)7-3-2-4-14-7/h2-5H,1H3,(H,12,13)
InChIKeyOZEWXBCUZMIVAQ-UHFFFAOYSA-N
XLogP1.38
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-Methylfuran-2-yl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 818637
3-[3-(5-methylfuran-2-yl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
CID 876610
[3-(2-furyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 877185
3-[3-(1-benzofuran-2-yl)-4-formyl-1H-pyrazol-1-yl]propanoic acid
CID 895913
isopropyl 3-(2-furyl)-1-phenyl-1H-pyrazole-4-carboxylate
CID 2200688
3-(5-Methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 2412347
[3-(5-Methyl-furan-2-yl)-1-phenyl-1H-pyrazol-4-yl]-methanol
CID 882619
2-[5-(Furan-2-yl)-3-methylpyrazol-1-yl]acetic acid
CID 3245759
2-(4,5-Dihydrofuro[2,3-g]indazol-1-yl)acetic acid
CID 5309967
3-(1-Benzofuran-2-yl)-1-(2-cyanoethyl)pyrazole-4-carboxylic acid
CID 2529467
3-(2-furyl)-3-{[(3-methyl-1-propyl-1H-pyrazol-4-yl)carbonyl]amino}propanoic acid
CID 72898355
1-[(3-Fluorophenyl)methyl]-3-(furan-2-yl)-4-phenylpyrazole
CID 177650959

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid (CID 42281964) is 3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid is Cn1cc(C(=O)O)c(-c2ccco2)n1.
What is the InChIKey of 3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is OZEWXBCUZMIVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-11-5-6(9(12)13)8(10-11)7-3-2-4-14-7/h2-5H,1H3,(H,12,13).
What are the key properties of 3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid?
3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 42281964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).