2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride

C14H14ClN3O2 — CID 126484806

IUPAC2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride
SMILESCl.Cn1cc(-c2ccc3oc(CN)cc(=O)c3c2)cn1
InChIInChI=1S/C14H13N3O2.ClH/c1-17-8-10(7-16-17)9-2-3-14-12(4-9)13(18)5-11(6-15)19-14;/h2-5,7-8H,6,15H2,1H3;1H
InChIKeyHSWOBJLIDBJQQZ-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.07
Rot. Bonds2

About 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride

2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride (PubChem CID 126484806) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride
PubChem CID126484806
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride
SMILESCl.Cn1cc(-c2ccc3oc(CN)cc(=O)c3c2)cn1
InChIInChI=1S/C14H13N3O2.ClH/c1-17-8-10(7-16-17)9-2-3-14-12(4-9)13(18)5-11(6-15)19-14;/h2-5,7-8H,6,15H2,1H3;1H
InChIKeyHSWOBJLIDBJQQZ-UHFFFAOYSA-N
XLogP2.07
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride?
The IUPAC name of 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride (CID 126484806) is 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride is Cl.Cn1cc(-c2ccc3oc(CN)cc(=O)c3c2)cn1.
What is the InChIKey of 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride?
The InChIKey is HSWOBJLIDBJQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2.ClH/c1-17-8-10(7-16-17)9-2-3-14-12(4-9)13(18)5-11(6-15)19-14;/h2-5,7-8H,6,15H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride?
2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride has a molecular weight of 291.74 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride is sourced from PubChem (CID 126484806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).