1-Ethylpyrazole-3-carboxylic Acid - CAS 400755-44-4

Catalog:	BB024290
Product Name:	1-Ethylpyrazole-3-carboxylic Acid
CAS:	400755-44-4
Synonyms:	1-ethyl-3-pyrazolecarboxylic acid; 1-ethylpyrazole-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-ethylpyrazole-3-carboxylic acid
Description:	1-Ethylpyrazole-3-carboxylic Acid (CAS# 400755-44-4) is a useful research chemical.
Molecular Weight:	140.14
Molecular Formula:	C6H8N2O2
Canonical SMILES:	CCN1C=CC(=N1)C(=O)O
InChI:	InChI=1S/C6H8N2O2/c1-2-8-4-3-5(7-8)6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChI Key:	YRKRPSDCHZQNDF-UHFFFAOYSA-N
Boiling Point:	307.4 °C at 760 mmHg
Density:	1.27 g/cm³
Appearance:	Solid
LogP:	0.60120

Publication Number	Title	Priority Date
US-2021101886-A1	Il-17a modulators and uses thereof	20190916
WO-2021055376-A1	Il-17a modulators and uses thereof	20190916
WO-2020198026-A1	Compounds and uses thereof	20190322
US-2020247785-A1	IL-17 Ligands And Uses Thereof	20190206
WO-2020163554-A1	Il-17a modulators and uses thereof	20190206

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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:	138
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	140.058577502
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4