lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate

C7H5LiN4O3 — CID 177312509

IUPAClithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCn1cc(-c2nnc(C(=O)[O-])o2)cn1.[Li+]
InChIInChI=1S/C7H6N4O3.Li/c1-11-3-4(2-8-11)5-9-10-6(14-5)7(12)13;/h2-3H,1H3,(H,12,13);/q;+1/p-1
InChIKeyDGRXWYLXEOIZIJ-UHFFFAOYSA-M
MW200.08 g/mol
LogP-4.16
Rot. Bonds2

About lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate

lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate (PubChem CID 177312509) has the molecular formula C7H5LiN4O3 and a molecular weight of 200.08 g/mol. Its IUPAC name is lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Namelithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate
PubChem CID177312509
Molecular FormulaC7H5LiN4O3
Molecular Weight200.08 g/mol
Exact Mass200.05
IUPAC Namelithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate
SMILESCn1cc(-c2nnc(C(=O)[O-])o2)cn1.[Li+]
InChIInChI=1S/C7H6N4O3.Li/c1-11-3-4(2-8-11)5-9-10-6(14-5)7(12)13;/h2-3H,1H3,(H,12,13);/q;+1/p-1
InChIKeyDGRXWYLXEOIZIJ-UHFFFAOYSA-M
XLogP-4.16
TPSA96.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 5-4.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate (CID 177312509) is lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate is Cn1cc(-c2nnc(C(=O)[O-])o2)cn1.[Li+].
What is the InChIKey of lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is DGRXWYLXEOIZIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6N4O3.Li/c1-11-3-4(2-8-11)5-9-10-6(14-5)7(12)13;/h2-3H,1H3,(H,12,13);/q;+1/p-1.
What are the key properties of lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate?
lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 200.08 g/mol, XLogP of -4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 177312509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).