3-bromo-1-ethyl-1H-pyrazole - CAS 1216504-91-4

Catalog:	BB005231
Product Name:	3-bromo-1-ethyl-1H-pyrazole
CAS:	1216504-91-4
Synonyms:	3-bromo-1-ethylpyrazole; 3-bromo-1-ethylpyrazole

IUPAC Name:	3-bromo-1-ethylpyrazole
Description:	3-bromo-1-ethyl-1H-pyrazole (CAS# 1216504-91-4 ) is a useful research chemical.
Molecular Weight:	175.029
Molecular Formula:	C5H7BrN2
Canonical SMILES:	CCN1C=CC(=N1)Br
InChI:	InChI=1S/C5H7BrN2/c1-2-8-4-3-5(6)7-8/h3-4H,2H2,1H3
InChI Key:	QXGVQSVGZXUMIZ-UHFFFAOYSA-N
MDL:	MFCD09414729
LogP:	1.66550

Publication Number	Title	Priority Date
CN-110156772-A	A kind of heterocyclic compound, its application and the pharmaceutical composition containing it	20180214
CN-110156772-B	Heterocyclic compound, application thereof and pharmaceutical composition containing same	20180214
CN-111620865-A	Heterocyclic compound, application thereof and pharmaceutical composition containing same	20180214
JP-2021513551-A	Heterocyclic compounds, their applications and pharmaceutical compositions containing them	20180214
WO-2019089412-A1	Novel substituted tetrahydroquinolin compounds as indoleamine 2,3-dioxygenase (ido) inhibitors	20171101

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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:	1.6

3-bromo-1-ethyl-1H-pyrazole - CAS 1216504-91-4

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