5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid

C14H13N5O2 — CID 141038824

IUPAC5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid
SMILESCc1cc(-n2ccnc2-c2ccc(C(=O)O)nc2)nn1C
InChIInChI=1S/C14H13N5O2/c1-9-7-12(17-18(9)2)19-6-5-15-13(19)10-3-4-11(14(20)21)16-8-10/h3-8H,1-2H3,(H,20,21)
InChIKeyPEPDSBYGGIAWSI-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.67
Rot. Bonds3

About 5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid

5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid (PubChem CID 141038824) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid
PubChem CID141038824
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid
SMILESCc1cc(-n2ccnc2-c2ccc(C(=O)O)nc2)nn1C
InChIInChI=1S/C14H13N5O2/c1-9-7-12(17-18(9)2)19-6-5-15-13(19)10-3-4-11(14(20)21)16-8-10/h3-8H,1-2H3,(H,20,21)
InChIKeyPEPDSBYGGIAWSI-UHFFFAOYSA-N
XLogP1.67
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid (CID 141038824) is 5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid is Cc1cc(-n2ccnc2-c2ccc(C(=O)O)nc2)nn1C.
What is the InChIKey of 5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid?
The InChIKey is PEPDSBYGGIAWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-9-7-12(17-18(9)2)19-6-5-15-13(19)10-3-4-11(14(20)21)16-8-10/h3-8H,1-2H3,(H,20,21).
What are the key properties of 5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid?
5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,5-dimethylpyrazol-3-yl)imidazol-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 141038824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).