3-(1H-Pyrazol-4-yl)propanoic Acid - CAS 1174309-53-5

Catalog:	BB057964
Product Name:	3-(1H-Pyrazol-4-yl)propanoic Acid
CAS:	1174309-53-5
Synonyms:	3-(1H-Pyrazol-4-yl)propanoic acid; 1H-Pyrazole-4-propanoicacid; 1H-Pyrazole-4-propanoic acid; 4-carboxyethyl pyrazole

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Computed Properties

IUPAC Name:	3-(1H-pyrazol-4-yl)propanoic acid
Description:	3-(1H-Pyrazol-4-Yl)Propanoic Acid (cas# 1174309-53-5) is a useful research chemical.
Molecular Weight:	140.13
Molecular Formula:	C6H8N2O2
Canonical SMILES:	C1=C(C=NN1)CCC(=O)O
InChI:	InChI=1S/C6H8N2O2/c9-6(10)2-1-5-3-7-8-4-5/h3-4H,1-2H2,(H,7,8)(H,9,10)
InChI Key:	YOFXFEFEHOILIF-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021078020-A1	Small molecule compound	20191024
CN-110944998-A	Dihydro-pyrrolo-pyridine derivatives	20170622
KR-20200013783-A	Dihydro-pyrrolo-pyridine derivatives	20170622
TW-201920166-A	Dihydropyrrolopyridine derivative	20170622
TW-I680128-B	Dihydropyrrolopyridine derivatives	20170622
BR-112019026955-A2	dihydro-pyrrole-pyridine derivatives	20170622
JP-2020524687-A	Dihydro-pyrrolo-pyridine derivative	20170622
US-2020262833-A1	Dihydro-pyrrolo-pyridine derivatives	20170622
US-11198692-B2	Dihydro-pyrrolo-pyridine derivatives	20170622
AU-2013337824-A1	Tricyclic fused thiophene derivatives as JAK inhibitors	20121101

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.058577502
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	3
Topological Polar Surface Area:	66Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3