2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one

C19H16N4O2 — CID 126484735

IUPAC2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one
SMILESNCc1cc(=O)c2ccc(Nc3cnn(-c4ccccc4)c3)cc2o1
InChIInChI=1S/C19H16N4O2/c20-10-16-9-18(24)17-7-6-13(8-19(17)25-16)22-14-11-21-23(12-14)15-4-2-1-3-5-15/h1-9,11-12,22H,10,20H2
InChIKeyUCGDSPIJGMSKDV-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.18
Rot. Bonds4

About 2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one

2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one (PubChem CID 126484735) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one
PubChem CID126484735
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC Name2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one
SMILESNCc1cc(=O)c2ccc(Nc3cnn(-c4ccccc4)c3)cc2o1
InChIInChI=1S/C19H16N4O2/c20-10-16-9-18(24)17-7-6-13(8-19(17)25-16)22-14-11-21-23(12-14)15-4-2-1-3-5-15/h1-9,11-12,22H,10,20H2
InChIKeyUCGDSPIJGMSKDV-UHFFFAOYSA-N
XLogP3.18
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one?
The IUPAC name of 2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one (CID 126484735) is 2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one.
What is the SMILES notation for 2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one?
The canonical SMILES for 2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one is NCc1cc(=O)c2ccc(Nc3cnn(-c4ccccc4)c3)cc2o1.
What is the InChIKey of 2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one?
The InChIKey is UCGDSPIJGMSKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-10-16-9-18(24)17-7-6-13(8-19(17)25-16)22-14-11-21-23(12-14)15-4-2-1-3-5-15/h1-9,11-12,22H,10,20H2.
What are the key properties of 2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one?
2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one has a molecular weight of 332.36 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-[(1-phenylpyrazol-4-yl)amino]chromen-4-one is sourced from PubChem (CID 126484735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).