1-Boc-4-(hydroxymethyl)pyrazole - CAS 199003-22-0

Catalog:	BB015371
Product Name:	1-Boc-4-(hydroxymethyl)pyrazole
CAS:	199003-22-0
Synonyms:	4-(hydroxymethyl)-1-pyrazolecarboxylic acid tert-butyl ester; tert-butyl 4-(hydroxymethyl)pyrazole-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-(hydroxymethyl)pyrazole-1-carboxylate
Description:	1-Boc-4-(hydroxymethyl)pyrazole (CAS# 199003-22-0) is a useful research chemical.
Molecular Weight:	198.22
Molecular Formula:	C9H14N2O3
Canonical SMILES:	CC(C)(C)OC(=O)N1C=C(C=N1)CO
InChI:	InChI=1S/C9H14N2O3/c1-9(2,3)14-8(13)11-5-7(6-12)4-10-11/h4-5,12H,6H2,1-3H3
InChI Key:	CIPRBVVWJSJWBE-UHFFFAOYSA-N
LogP:	1.15860

Publication Number	Title	Priority Date
WO-2021190727-A1	Compounds and their use in the treatment of bacterial infection	20200324
WO-2021127499-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20191218
US-11077101-B1	Compounds and methods of use	20180718
TW-202016082-A	Protein tyrosine phosphatase inhibitor and method of use	20180621
CA-3104507-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20180621

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Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	198.10044231
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	198.10044231
Rotatable Bond Count:	3
Topological Polar Surface Area:	64.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6