1-methyl-5-phenylpyrazole-4-carboxylic acid

C11H10N2O2 — CID 2795474

IUPAC1-methyl-5-phenylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-13-10(8-5-3-2-4-6-8)9(7-12-13)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyMXGOKNNGBUOAGF-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.79
Rot. Bonds2

About 1-methyl-5-phenylpyrazole-4-carboxylic acid

1-methyl-5-phenylpyrazole-4-carboxylic acid (PubChem CID 2795474) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 1-methyl-5-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-phenylpyrazole-4-carboxylic acid
PubChem CID2795474
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name1-methyl-5-phenylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1-c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-13-10(8-5-3-2-4-6-8)9(7-12-13)11(14)15/h2-7H,1H3,(H,14,15)
InChIKeyMXGOKNNGBUOAGF-UHFFFAOYSA-N
XLogP1.79
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-phenylpyrazole-4-carboxylic acid (CID 2795474) is 1-methyl-5-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-phenylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1-c1ccccc1.
What is the InChIKey of 1-methyl-5-phenylpyrazole-4-carboxylic acid?
The InChIKey is MXGOKNNGBUOAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-13-10(8-5-3-2-4-6-8)9(7-12-13)11(14)15/h2-7H,1H3,(H,14,15).
What are the key properties of 1-methyl-5-phenylpyrazole-4-carboxylic acid?
1-methyl-5-phenylpyrazole-4-carboxylic acid has a molecular weight of 202.21 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 2795474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).