methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate

C16H14N4O3 — CID 23143466

IUPACmethyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)nc2)n(-c2cccnc2)n1
InChIInChI=1S/C16H14N4O3/c1-22-15-6-5-11(9-18-15)14-8-13(16(21)23-2)19-20(14)12-4-3-7-17-10-12/h3-10H,1-2H3
InChIKeyFJUCATMHRIQNQO-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.12
Rot. Bonds4

About methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate

methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate (PubChem CID 23143466) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate
PubChem CID23143466
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Namemethyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)nc2)n(-c2cccnc2)n1
InChIInChI=1S/C16H14N4O3/c1-22-15-6-5-11(9-18-15)14-8-13(16(21)23-2)19-20(14)12-4-3-7-17-10-12/h3-10H,1-2H3
InChIKeyFJUCATMHRIQNQO-UHFFFAOYSA-N
XLogP2.12
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate?
The IUPAC name of methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate (CID 23143466) is methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate?
The canonical SMILES for methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate is COC(=O)c1cc(-c2ccc(OC)nc2)n(-c2cccnc2)n1.
What is the InChIKey of methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate?
The InChIKey is FJUCATMHRIQNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c1-22-15-6-5-11(9-18-15)14-8-13(16(21)23-2)19-20(14)12-4-3-7-17-10-12/h3-10H,1-2H3.
What are the key properties of methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate?
methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate has a molecular weight of 310.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(6-methoxy-3-pyridinyl)-1-pyridin-3-ylpyrazole-3-carboxylate is sourced from PubChem (CID 23143466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).