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

C9H8N2O3 — CID 651228

IUPAC5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)n[nH]2)o1
InChIInChI=1S/C9H8N2O3/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyGOUUZIMECSCUHZ-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.68
Rot. Bonds2

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

5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid (PubChem CID 651228) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid
PubChem CID651228
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)n[nH]2)o1
InChIInChI=1S/C9H8N2O3/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyGOUUZIMECSCUHZ-UHFFFAOYSA-N
XLogP1.68
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(furan-2-yl)-1H-pyrazole-3-carboxylic acid
CID 654018
3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 727435
N'-[(E)-(2-hydroxyphenyl)methylidene]-3-(5-methylfuran-2-yl)-1H-pyrazole-5-carbohydrazide
CID 135616972
5-(2-Furyl)-3-methyl-1H-pyrazole
CID 700124
5-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]furan-2-carboxylic acid
CID 3160219
5-(1H-pyrazol-5-yl)furan-2-carbaldehyde
CID 17750888
5-(2-Furyl)-3-(trifluoromethyl)pyrazole
CID 12007125
N-[(E)-benzylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 6862336
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
3-(Furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
CID 7537643

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid (CID 651228) is 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)n[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid?
The InChIKey is GOUUZIMECSCUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid?
5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid has a molecular weight of 192.17 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 651228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).