1,3-Dimethyl-1H-pyrazole-5-carbaldehyde - CAS 25016-09-5

Catalog:	BB018696
Product Name:	1,3-Dimethyl-1H-pyrazole-5-carbaldehyde
CAS:	25016-09-5
Synonyms:	2,5-dimethyl-3-pyrazolecarboxaldehyde; 2,5-dimethylpyrazole-3-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,5-dimethylpyrazole-3-carbaldehyde
Description:	1,3-Dimethyl-1H-pyrazole-5-carbaldehyde (CAS# 25016-09-5) is a useful research chemical.
Molecular Weight:	124.14
Molecular Formula:	C6H8N2O
Canonical SMILES:	CC1=NN(C(=C1)C=O)C
InChI:	InChI=1S/C6H8N2O/c1-5-3-6(4-9)8(2)7-5/h3-4H,1-2H3
InChI Key:	JWYFGNVBKRJGTN-UHFFFAOYSA-N
Boiling Point:	227.7 °C at 760 mmHg
Density:	1.11 g/cm³
Appearance:	Solid
MDL:	MFCD02681907
LogP:	0.54100

Publication Number	Title	Priority Date
CN-112778337-A	3,6 diazabicyclo [3.1.1] heptane derivatives as RET kinase inhibitors	20191108
WO-2021088911-A1	3,6-diazabicyclo[3.1.1]heptane derivative as ret kinase inhibitor	20191108
WO-2020249773-A1	Next-generation modulators of stimulator of interferon genes (sting)	20190612
TW-202010740-A	MCL-1 inhibitors	20180514
US-10703733-B2	MCL-1 inhibitors	20180514

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	124.063662883
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	124.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	34.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4