1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid

C15H14N4O3 — CID 135355494

IUPAC1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid
SMILESCn1cc(-c2cn(C)c(=O)cc2-n2ccc(C(=O)O)c2)cn1
InChIInChI=1S/C15H14N4O3/c1-17-9-12(11-6-16-18(2)7-11)13(5-14(17)20)19-4-3-10(8-19)15(21)22/h3-9H,1-2H3,(H,21,22)
InChIKeyYLXXXHVJQNFPBI-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.27
Rot. Bonds3

About 1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid

1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid (PubChem CID 135355494) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid
PubChem CID135355494
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid
SMILESCn1cc(-c2cn(C)c(=O)cc2-n2ccc(C(=O)O)c2)cn1
InChIInChI=1S/C15H14N4O3/c1-17-9-12(11-6-16-18(2)7-11)13(5-14(17)20)19-4-3-10(8-19)15(21)22/h3-9H,1-2H3,(H,21,22)
InChIKeyYLXXXHVJQNFPBI-UHFFFAOYSA-N
XLogP1.27
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid?
The IUPAC name of 1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid (CID 135355494) is 1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid.
What is the SMILES notation for 1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid?
The canonical SMILES for 1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid is Cn1cc(-c2cn(C)c(=O)cc2-n2ccc(C(=O)O)c2)cn1.
What is the InChIKey of 1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid?
The InChIKey is YLXXXHVJQNFPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-17-9-12(11-6-16-18(2)7-11)13(5-14(17)20)19-4-3-10(8-19)15(21)22/h3-9H,1-2H3,(H,21,22).
What are the key properties of 1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid?
1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-5-(1-methylpyrazol-4-yl)-2-oxo-4-pyridinyl]pyrrole-3-carboxylic acid is sourced from PubChem (CID 135355494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).