BitterDB ID=440

Pyrazole

BitterDB id=440

References for the compound bitterness

	Resource	Comment
[1]	URL link
[2]	Merck Index Monograph Number: 7960

Known bitter receptors targets:

There is no available data on associated receptors

Sensory data about the compound bitterness:

Sensory Data Type	Value	Reference
Bitter recognition threshold	15-20 [mM]	Reference

Properties:

Mol. Weight: 68.0800 [g/mol]	AlogP(octanol-water): 0.40970
# Hydrogen Bond Donor: 1	# Hydrogen Bond Acceptor: 1
# Aromatic Rings: 1	# Rings: 1
# Rotatable Bonds: 0
Rat Acute Oral LD50: 1010 [mg/kg B.W.]

Identifiers:

CAS Registry Number: 288-13-1

Formula: C3H4N2

IUPAC Systematic Name:

SMILES:

Canonical SMILES:

InChI Key: WTKZEGDFNFYCGP-UHFFFAOYSA-N

Links:

[1]	PubChem	1048
[2]	ZINC	ZINC000000895257
[3]	DrugBank	DB02757