1-(Tetrahydropyran-4-yl)pyrazol-4-amine - CAS 1190380-49-4

Catalog:	BB004400
Product Name:	1-(Tetrahydropyran-4-yl)pyrazol-4-amine
CAS:	1190380-49-4
Synonyms:	1-(4-oxanyl)-4-pyrazolamine; 1-(oxan-4-yl)pyrazol-4-amine

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(oxan-4-yl)pyrazol-4-amine
Description:	1-(Tetrahydropyran-4-yl)pyrazol-4-amine (CAS# 1190380-49-4) is used in the synthesis of Tyk2 inhibitors as well as in the preparation of pyrimidines as GCN2 inhibitors.
Molecular Weight:	167.21
Molecular Formula:	C8H13N3O
Canonical SMILES:	C1COCCC1N2C=C(C=N2)N
InChI:	InChI=1S/C8H13N3O/c9-7-5-10-11(6-7)8-1-3-12-4-2-8/h5-6,8H,1-4,9H2
InChI Key:	GZZNBQLBGSVOOZ-UHFFFAOYSA-N
MDL:	MFCD11505007
LogP:	1.39800

Publication Number	Title	Priority Date
WO-2021147952-A1	Pyrimidopyrrole compound	20200121
US-2021078996-A1	Hpk1 antagonists and uses thereof	20190913
US-2021078997-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021078998-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021087189-A1	SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913

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Complexity:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.105862047
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.105862047
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1