[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate

C16H14N4O2 — CID 75384154

IUPAC[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate
SMILESCc1ccn(-c2cc(COC(=O)c3cccnc3)ccn2)n1
InChIInChI=1S/C16H14N4O2/c1-12-5-8-20(19-12)15-9-13(4-7-18-15)11-22-16(21)14-3-2-6-17-10-14/h2-10H,11H2,1H3
InChIKeyBINCKYUAAOAIFY-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.33
Rot. Bonds4

About [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate

[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate (PubChem CID 75384154) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate
PubChem CID75384154
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate
SMILESCc1ccn(-c2cc(COC(=O)c3cccnc3)ccn2)n1
InChIInChI=1S/C16H14N4O2/c1-12-5-8-20(19-12)15-9-13(4-7-18-15)11-22-16(21)14-3-2-6-17-10-14/h2-10H,11H2,1H3
InChIKeyBINCKYUAAOAIFY-UHFFFAOYSA-N
XLogP2.33
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate?
The IUPAC name of [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate (CID 75384154) is [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate.
What is the SMILES notation for [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate?
The canonical SMILES for [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate is Cc1ccn(-c2cc(COC(=O)c3cccnc3)ccn2)n1.
What is the InChIKey of [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate?
The InChIKey is BINCKYUAAOAIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-12-5-8-20(19-12)15-9-13(4-7-18-15)11-22-16(21)14-3-2-6-17-10-14/h2-10H,11H2,1H3.
What are the key properties of [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate?
[2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylpyrazol-1-yl)-4-pyridinyl]methyl pyridine-3-carboxylate is sourced from PubChem (CID 75384154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).