lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid

C14H12LiN5O3 — CID 173083048

IUPAClithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2cccnn2)cn1.[H-].[Li+]
InChIInChI=1S/C14H11N5O3.Li.H/c1-22-13-5-4-9(8-15-13)19-12(7-11(18-19)14(20)21)10-3-2-6-16-17-10;;/h2-8H,1H3,(H,20,21);;/q;+1;-1
InChIKeyCSCZTKBOHQCIKX-UHFFFAOYSA-N
MW305.22 g/mol
LogP-1.45
Rot. Bonds4

About lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid

lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid (PubChem CID 173083048) has the molecular formula C14H12LiN5O3 and a molecular weight of 305.22 g/mol. Its IUPAC name is lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Namelithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid
PubChem CID173083048
Molecular FormulaC14H12LiN5O3
Molecular Weight305.22 g/mol
Exact Mass305.11
IUPAC Namelithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2cccnn2)cn1.[H-].[Li+]
InChIInChI=1S/C14H11N5O3.Li.H/c1-22-13-5-4-9(8-15-13)19-12(7-11(18-19)14(20)21)10-3-2-6-16-17-10;;/h2-8H,1H3,(H,20,21);;/q;+1;-1
InChIKeyCSCZTKBOHQCIKX-UHFFFAOYSA-N
XLogP-1.45
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid?
The IUPAC name of lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid (CID 173083048) is lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid?
The canonical SMILES for lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)cc2-c2cccnn2)cn1.[H-].[Li+].
What is the InChIKey of lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid?
The InChIKey is CSCZTKBOHQCIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3.Li.H/c1-22-13-5-4-9(8-15-13)19-12(7-11(18-19)14(20)21)10-3-2-6-16-17-10;;/h2-8H,1H3,(H,20,21);;/q;+1;-1.
What are the key properties of lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid?
lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid has a molecular weight of 305.22 g/mol, XLogP of -1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 173083048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).