1,3-Dimethyl-1H-pyrazole-4-carbaldehyde - CAS 25016-12-0

Name: 1,3-Dimethyl-1H-pyrazole-4-carbaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB018699
Product Name:	1,3-Dimethyl-1H-pyrazole-4-carbaldehyde
CAS:	25016-12-0
Synonyms:	1,3-dimethyl-4-pyrazolecarboxaldehyde; 1,3-dimethylpyrazole-4-carbaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1,3-dimethylpyrazole-4-carbaldehyde
Description:	1,3-Dimethyl-1H-pyrazole-4-carbaldehyde (CAS# 25016-12-0) is used in preparation of the inhibitors of SARM1 for the treatment or preventing of axonal degeneration.
Molecular Weight:	124.14
Molecular Formula:	C6H8N2O
Canonical SMILES:	CC1=NN(C=C1C=O)C
InChI:	InChI=1S/C6H8N2O/c1-5-6(4-9)3-8(2)7-5/h3-4H,1-2H3
InChI Key:	IGJREDVLGVEPFI-UHFFFAOYSA-N
Boiling Point:	229 °C at 760 mmHg
Purity:	95 %
Density:	1.11 g/cm³
Appearance:	Beige crystals
LogP:	0.54100

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021176216-A1	Salts and polymorphic forms of 6-chloro-7-(4-(4-chlorobenzyl)piperazin-1-yl)-2-(1,3-dimethyl-1h-pyrazol-4-yl)-3h-imidazo[4,5-b]pyridine	20200304
US-10851073-B2	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
US-2020299246-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
WO-2020186199-A1	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314
TW-202100515-A	Protein tyrosine phosphatase inhibitors and methods of use thereof	20190314

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:	0.1