5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid

C14H12N4O2 — CID 59684373

IUPAC5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid
SMILESCn1cccc1-c1cc(C(=O)O)nn1-c1cccnc1
InChIInChI=1S/C14H12N4O2/c1-17-7-3-5-12(17)13-8-11(14(19)20)16-18(13)10-4-2-6-15-9-10/h2-9H,1H3,(H,19,20)
InChIKeySNRZJVNSTUPRHS-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.97
Rot. Bonds3

About 5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid

5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid (PubChem CID 59684373) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid
PubChem CID59684373
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid
SMILESCn1cccc1-c1cc(C(=O)O)nn1-c1cccnc1
InChIInChI=1S/C14H12N4O2/c1-17-7-3-5-12(17)13-8-11(14(19)20)16-18(13)10-4-2-6-15-9-10/h2-9H,1H3,(H,19,20)
InChIKeySNRZJVNSTUPRHS-UHFFFAOYSA-N
XLogP1.97
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid?
The IUPAC name of 5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid (CID 59684373) is 5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid is Cn1cccc1-c1cc(C(=O)O)nn1-c1cccnc1.
What is the InChIKey of 5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid?
The InChIKey is SNRZJVNSTUPRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-17-7-3-5-12(17)13-8-11(14(19)20)16-18(13)10-4-2-6-15-9-10/h2-9H,1H3,(H,19,20).
What are the key properties of 5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid?
5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid has a molecular weight of 268.28 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrol-2-yl)-1-pyridin-3-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 59684373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).