1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid

C9H9N3O2 — CID 79778630

IUPAC1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid
SMILESCn1ccc(-n2cccc2C(=O)O)n1
InChIInChI=1S/C9H9N3O2/c1-11-6-4-8(10-11)12-5-2-3-7(12)9(13)14/h2-6H,1H3,(H,13,14)
InChIKeyLKSQUEJWTPLTBZ-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.91
Rot. Bonds2

About 1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid

1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid (PubChem CID 79778630) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid
PubChem CID79778630
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid
SMILESCn1ccc(-n2cccc2C(=O)O)n1
InChIInChI=1S/C9H9N3O2/c1-11-6-4-8(10-11)12-5-2-3-7(12)9(13)14/h2-6H,1H3,(H,13,14)
InChIKeyLKSQUEJWTPLTBZ-UHFFFAOYSA-N
XLogP0.91
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid (CID 79778630) is 1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid is Cn1ccc(-n2cccc2C(=O)O)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid?
The InChIKey is LKSQUEJWTPLTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-11-6-4-8(10-11)12-5-2-3-7(12)9(13)14/h2-6H,1H3,(H,13,14).
What are the key properties of 1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid?
1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 79778630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).