2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one

C13H11N3O2 — CID 126484746

IUPAC2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one
SMILESNCc1cc(=O)c2cc(-n3cccn3)ccc2o1
InChIInChI=1S/C13H11N3O2/c14-8-10-7-12(17)11-6-9(2-3-13(11)18-10)16-5-1-4-15-16/h1-7H,8,14H2
InChIKeyKQLTZDYLLDOGIX-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.44
Rot. Bonds2

About 2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one

2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one (PubChem CID 126484746) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one
PubChem CID126484746
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one
SMILESNCc1cc(=O)c2cc(-n3cccn3)ccc2o1
InChIInChI=1S/C13H11N3O2/c14-8-10-7-12(17)11-6-9(2-3-13(11)18-10)16-5-1-4-15-16/h1-7H,8,14H2
InChIKeyKQLTZDYLLDOGIX-UHFFFAOYSA-N
XLogP1.44
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one?
The IUPAC name of 2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one (CID 126484746) is 2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one?
The canonical SMILES for 2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one is NCc1cc(=O)c2cc(-n3cccn3)ccc2o1.
What is the InChIKey of 2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one?
The InChIKey is KQLTZDYLLDOGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c14-8-10-7-12(17)11-6-9(2-3-13(11)18-10)16-5-1-4-15-16/h1-7H,8,14H2.
What are the key properties of 2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one?
2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one has a molecular weight of 241.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-pyrazol-1-ylchromen-4-one is sourced from PubChem (CID 126484746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).