pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate

C17H15N3O2 — CID 46562089

IUPACpyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate
SMILESO=C(OCc1ccccn1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H15N3O2/c21-17(22-13-16-4-1-2-9-18-16)15-7-5-14(6-8-15)12-20-11-3-10-19-20/h1-11H,12-13H2
InChIKeyNBVHWOGCUHHTIV-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.68
Rot. Bonds5

About pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate

pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate (PubChem CID 46562089) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate.

Molecular Properties

Compound Namepyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate
PubChem CID46562089
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Namepyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate
SMILESO=C(OCc1ccccn1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C17H15N3O2/c21-17(22-13-16-4-1-2-9-18-16)15-7-5-14(6-8-15)12-20-11-3-10-19-20/h1-11H,12-13H2
InChIKeyNBVHWOGCUHHTIV-UHFFFAOYSA-N
XLogP2.68
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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(3-methyl-1,2-oxazol-5-yl)methyl 4-(pyrazol-1-ylmethyl)benzoate
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[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate
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CID 30002423
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1-[(4-ethylphenyl)methyl]pyrazole
CID 63811734
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 4-(pyrazol-1-ylmethyl)benzoate
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Frequently Asked Questions

What is the IUPAC name of pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate?
The IUPAC name of pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate (CID 46562089) is pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate.
What is the SMILES notation for pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate?
The canonical SMILES for pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate is O=C(OCc1ccccn1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate?
The InChIKey is NBVHWOGCUHHTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-17(22-13-16-4-1-2-9-18-16)15-7-5-14(6-8-15)12-20-11-3-10-19-20/h1-11H,12-13H2.
What are the key properties of pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate?
pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate has a molecular weight of 293.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-2-ylmethyl 4-(pyrazol-1-ylmethyl)benzoate is sourced from PubChem (CID 46562089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).