4-Bromo-3-ethylpyrazole - CAS 15802-79-6

Catalog:	BB011385
Product Name:	4-Bromo-3-ethylpyrazole
CAS:	15802-79-6
Synonyms:	4-bromo-5-ethyl-1H-pyrazole; 4-bromo-5-ethyl-1H-pyrazole

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-5-ethyl-1H-pyrazole
Description:	4-Bromo-3-ethylpyrazole (CAS# 15802-79-6) is a useful research chemical.
Molecular Weight:	175.03
Molecular Formula:	C5H7BrN2
Canonical SMILES:	CCC1=C(C=NN1)Br
InChI:	InChI=1S/C5H7BrN2/c1-2-5-4(6)3-7-8-5/h3H,2H2,1H3,(H,7,8)
InChI Key:	QJIWUPJCGOTRMI-UHFFFAOYSA-N
MDL:	MFCD16620172
LogP:	1.73460

Publication Number	Title	Priority Date
WO-2020131627-A1	Substituted pyrazolo[1,5-a]pyridine compounds as inhibitors of fgfr tyrosine kinases	20181219
CN-113490666-A	Substituted pyrazolo [1,5-A ] pyridine compounds as inhibitors of FGFR tyrosine kinases	20181219
EP-3898626-A1	Substituted pyrazolo[1,5-a]pyridine compounds as inhibitors of fgfr tyrosine kinases	20181219
CN-113272297-A	Pyrazole derivatives as H4 antagonist compounds	20181019
KR-20210079318-A	H4 antagonist compounds	20181019

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.97926
Rotatable Bond Count:	1
Topological Polar Surface Area:	28.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7