3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

C11H14N4O2 — CID 3163612

IUPAC3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCCn1nc(C)c(-c2cc(C(=O)O)[nH]n2)c1C
InChIInChI=1S/C11H14N4O2/c1-4-15-7(3)10(6(2)14-15)8-5-9(11(16)17)13-12-8/h5H,4H2,1-3H3,(H,12,13)(H,16,17)
InChIKeyMYUXPJBRMDDBIF-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.61
Rot. Bonds3

About 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid

3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid (PubChem CID 3163612) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
PubChem CID3163612
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid
SMILESCCn1nc(C)c(-c2cc(C(=O)O)[nH]n2)c1C
InChIInChI=1S/C11H14N4O2/c1-4-15-7(3)10(6(2)14-15)8-5-9(11(16)17)13-12-8/h5H,4H2,1-3H3,(H,12,13)(H,16,17)
InChIKeyMYUXPJBRMDDBIF-UHFFFAOYSA-N
XLogP1.61
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid (CID 3163612) is 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid is CCn1nc(C)c(-c2cc(C(=O)O)[nH]n2)c1C.
What is the InChIKey of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
The InChIKey is MYUXPJBRMDDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-4-15-7(3)10(6(2)14-15)8-5-9(11(16)17)13-12-8/h5H,4H2,1-3H3,(H,12,13)(H,16,17).
What are the key properties of 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid?
3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 3163612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).