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

C11H11N3O2 — CID 13446789

IUPAC3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(Nc2ccccc2)c1C(=O)O
InChIInChI=1S/C11H11N3O2/c1-7-9(11(15)16)10(14-13-7)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16)(H2,12,13,14)
InChIKeyKUVGVYIZXUNKKJ-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.16
Rot. Bonds3

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

3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid (PubChem CID 13446789) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid
PubChem CID13446789
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(Nc2ccccc2)c1C(=O)O
InChIInChI=1S/C11H11N3O2/c1-7-9(11(15)16)10(14-13-7)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16)(H2,12,13,14)
InChIKeyKUVGVYIZXUNKKJ-UHFFFAOYSA-N
XLogP2.16
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid (CID 13446789) is 3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(Nc2ccccc2)c1C(=O)O.
What is the InChIKey of 3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is KUVGVYIZXUNKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-7-9(11(15)16)10(14-13-7)12-8-5-3-2-4-6-8/h2-6H,1H3,(H,15,16)(H2,12,13,14).
What are the key properties of 3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid?
3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 217.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-methyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 13446789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).