2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride

C13H12ClN3O2 — CID 126484817

IUPAC2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride
SMILESCl.NCc1cc(=O)c2ccc(-n3cccn3)cc2o1
InChIInChI=1S/C13H11N3O2.ClH/c14-8-10-7-12(17)11-3-2-9(6-13(11)18-10)16-5-1-4-15-16;/h1-7H,8,14H2;1H
InChIKeyXDQQMKRCUAMWBO-UHFFFAOYSA-N
MW277.71 g/mol
LogP1.86
Rot. Bonds2

About 2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride

2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride (PubChem CID 126484817) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride
PubChem CID126484817
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride
SMILESCl.NCc1cc(=O)c2ccc(-n3cccn3)cc2o1
InChIInChI=1S/C13H11N3O2.ClH/c14-8-10-7-12(17)11-3-2-9(6-13(11)18-10)16-5-1-4-15-16;/h1-7H,8,14H2;1H
InChIKeyXDQQMKRCUAMWBO-UHFFFAOYSA-N
XLogP1.86
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride (CID 126484817) is 2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride is Cl.NCc1cc(=O)c2ccc(-n3cccn3)cc2o1.
What is the InChIKey of 2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride?
The InChIKey is XDQQMKRCUAMWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2.ClH/c14-8-10-7-12(17)11-3-2-9(6-13(11)18-10)16-5-1-4-15-16;/h1-7H,8,14H2;1H.
What are the key properties of 2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride?
2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride has a molecular weight of 277.71 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-pyrazol-1-ylchromen-4-one;hydrochloride is sourced from PubChem (CID 126484817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).