4-(Boc-amino)pyrazole - CAS 130106-42-2

Catalog:	BB007046
Product Name:	4-(Boc-amino)pyrazole
CAS:	130106-42-2
Synonyms:	N-(1H-pyrazol-4-yl)carbamic acid tert-butyl ester; tert-butyl N-(1H-pyrazol-4-yl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(1H-pyrazol-4-yl)carbamate
Description:	4-(Boc-amino)pyrazole (CAS# 130106-42-2) is a useful research chemical.
Molecular Weight:	183.21
Molecular Formula:	C8H13N3O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=CNN=C1
InChI:	InChI=1S/C8H13N3O2/c1-8(2,3)13-7(12)11-6-4-9-10-5-6/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChI Key:	PTVIULBFZPNHNQ-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	1.77030

Publication Number	Title	Priority Date
WO-2020243373-A1	Selective androgen receptor degrader (sard) ligands and methods of use thereof	20190529
CN-110366549-A	Compound as interleukin-1 activity inhibitor	20170123
AU-2017278314-A1	Selective androgen receptor degrader (SARD) ligands and methods of use thereof	20160610
JP-2019522644-A	Selective androgen receptor degrading agent (SARD) ligands and methods of use thereof	20160610
KR-20190016513-A	Selective androgen receptor dissociation (SARD) ligands and methods for their use	20160610

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.100776666
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	183.100776666
Rotatable Bond Count:	3
Topological Polar Surface Area:	67 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1