5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid

C7H10N2O2 — CID 3159638

IUPAC5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
SMILESCCc1[nH]nc(C(=O)O)c1C
InChIInChI=1S/C7H10N2O2/c1-3-5-4(2)6(7(10)11)9-8-5/h3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyMFNJGDMJKJLUGC-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.98
Rot. Bonds2

About 5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid

5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid (PubChem CID 3159638) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
PubChem CID3159638
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
SMILESCCc1[nH]nc(C(=O)O)c1C
InChIInChI=1S/C7H10N2O2/c1-3-5-4(2)6(7(10)11)9-8-5/h3H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyMFNJGDMJKJLUGC-UHFFFAOYSA-N
XLogP0.98
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid (CID 3159638) is 5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid is CCc1[nH]nc(C(=O)O)c1C.
What is the InChIKey of 5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid?
The InChIKey is MFNJGDMJKJLUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-3-5-4(2)6(7(10)11)9-8-5/h3H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid?
5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 3159638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).