4-Bromo-1-ethylpyrazole - CAS 71229-85-1

Catalog:	BB034330
Product Name:	4-Bromo-1-ethylpyrazole
CAS:	71229-85-1
Synonyms:	4-bromo-1-ethylpyrazole; 4-bromo-1-ethylpyrazole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-1-ethylpyrazole
Description:	4-Bromo-1-ethylpyrazole (CAS# 71229-85-1) is a useful research chemical.
Molecular Weight:	175.03
Molecular Formula:	C5H7BrN2
Canonical SMILES:	CCN1C=C(C=N1)Br
InChI:	InChI=1S/C5H7BrN2/c1-2-8-4-5(6)3-7-8/h3-4H,2H2,1H3
InChI Key:	IPMSARLBJARXSC-UHFFFAOYSA-N
Boiling Point:	211.458 °C at 760 mmHg
Density:	1.572 g/cm³
MDL:	MFCD08235252
LogP:	1.66550

Publication Number	Title	Priority Date
WO-2020112706-A1	7-, 8-, and 10-SUBSTITUTED AMINO TRIAZOLO QUINAZOLINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS AND THEIR USE	20181130
US-2021107904-A1	9-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use	20181130
CN-113166158-A	7-, 8-and 10-substituted aminotriazoloquinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and uses thereof	20181130
EP-3887377-A1	7-, 8-, and 10-substituted amino triazolo quinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and their use	20181130
KR-20210096184-A	9-substituted amino triazoloquinazoline derivatives as adenosine receptor antagonists, pharmaceutical compositions and uses thereof	20181130

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.97926
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	173.97926
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2