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5-Amino-1-(oxan-4-yl)-1H-pyrazole-4-carbonitrile

5-Amino-1-(oxan-4-yl)-1H-pyrazole-4-carbonitrile - CAS 1082745-49-0

Catalog:	BB002220
Product Name:	5-Amino-1-(oxan-4-yl)-1H-pyrazole-4-carbonitrile
CAS:	1082745-49-0
Synonyms:	5-amino-1-(4-oxanyl)-4-pyrazolecarbonitrile; 5-amino-1-(oxan-4-yl)pyrazole-4-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-amino-1-(oxan-4-yl)pyrazole-4-carbonitrile
Description:	5-Amino-1-(oxan-4-yl)-1H-pyrazole-4-carbonitrile (CAS# 1082745-49-0) is a useful research chemical.
Molecular Weight:	192.22
Molecular Formula:	C9H12N4O
Canonical SMILES:	C1COCCC1N2C(=C(C=N2)C#N)N
InChI:	InChI=1S/C9H12N4O/c10-5-7-6-12-13(9(7)11)8-1-3-14-4-2-8/h6,8H,1-4,11H2
InChI Key:	UMPNYNSSLRKJHT-UHFFFAOYSA-N
LogP:	1.26968

Publication Number	Title	Priority Date
AU-2017250431-A1	1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-ones and 1,5-dihydro-4H-pyrazolo[4,3-c]pyridin-4-ones as PDE1 inhibitors	20160412
EP-3442975-A1	1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-ones and 1,5-dihydro-4h-pyrazolo[4,3-c]pyridin-4-ones as pde1 inhibitors	20160412
JP-2019517996-A	1,5-Dihydro-4H-pyrazolo [3,4-d] pyrimidin-4-one and 1,5-dihydro-4H-pyrazolo [4,3-c] pyridin-4-one as PDE1 inhibitors	20160412
KR-20180133413-A	Dihydro-4H-pyrazolo [3,4-d] pyrimidin-4-one and 1,5-dihydro-4H-pyrazolo [4,3- c] pyridin- On	20160412
TW-201738242-A	1,5-Dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one and 1,5-dihydro-4H-pyrazolo[4,3-c]pyridine as PDE1 inhibitor -4-ketone	20160412

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
Benzyl thioacetimidate hydrochloride
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[2241982-86-3]
3-(Phenyl-2-D)propanenitrile-2,2-D2

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.10111102
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	192.10111102
Rotatable Bond Count:	1
Topological Polar Surface Area:	76.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5