4-(Hydroxymethyl)-3-(Trifluoromethyl)pyrazole - CAS 1001020-13-8

Catalog:	BB000083
Product Name:	4-(Hydroxymethyl)-3-(Trifluoromethyl)pyrazole
CAS:	1001020-13-8
Synonyms:	[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol; [5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
Description:	4-(Hydroxymethyl)-3-(Trifluoromethyl)pyrazole (CAS# 1001020-13-8) is a useful research chemical.
Molecular Weight:	166.10
Molecular Formula:	C5H5F3N2O
Canonical SMILES:	C1=NNC(=C1CO)C(F)(F)F
InChI:	InChI=1S/C5H5F3N2O/c6-5(7,8)4-3(2-11)1-9-10-4/h1,11H,2H2,(H,9,10)
InChI Key:	PPTPNGBNXZGCBT-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	0.92080

Publication Number	Title	Priority Date
EP-3535258-A1	Substituted bicycle heterocyclic derivatives useful as romk channel inhibitors	20161103
KR-20190075110-A	Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors	20161103
US-2019248769-A1	Substituted bicycle heterocyclic derivatives useful as romk channel inhibitors	20161103
WO-2018093569-A1	Substituted bicycle heterocyclic derivatives useful as romk channel inhibitors	20161103
US-10723723-B2	Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors	20161103

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Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.03539727
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	166.03539727
Rotatable Bond Count:	1
Topological Polar Surface Area:	48.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2