Methyl 1,3-dimethyl-1H-pyrazole-5-carboxylate - CAS 10250-59-6

Catalog:	BB000869
Product Name:	Methyl 1,3-dimethyl-1H-pyrazole-5-carboxylate
CAS:	10250-59-6
Synonyms:	methyl 2,5-dimethylpyrazole-3-carboxylate

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Computed Properties

IUPAC Name:	methyl 2,5-dimethylpyrazole-3-carboxylate
Description:	Methyl 1,3-dimethyl-1H-pyrazole-5-carboxylate (CAS# 10250-59-6) is used as a reactant in the preparation of pyrazolyl acrylonitrile derivatives as acaricides.
Molecular Weight:	154.17
Molecular Formula:	C7H10N2O2
Canonical SMILES:	CC1=NN(C(=C1)C(=O)OC)C
InChI:	InChI=1S/C7H10N2O2/c1-5-4-6(7(10)11-3)9(2)8-5/h4H,1-3H3
InChI Key:	KYQGPXFQWUSRMY-UHFFFAOYSA-N
MDL:	MFCD06204177
LogP:	0.51510

Publication Number	Title	Priority Date
CN-111362967-A	Benzoxadiazatetetradecene derivatives and use thereof	20200428
CN-111362967-B	Benzoxadiazatetetradecene derivatives and use thereof	20200428
US-10556867-B2	Process for preparing 3-fluoroalkyl-5-pyrazolecarboxylates and 3-fluoroalkyl-5-pyrazolecarboxylic acids	20160921
US-2019225586-A1	Process for preparing 3-fluoroalkyl-5-pyrazolecarboxylates and 3-fluoroalkyl-5-pyrazolecarboxylic acids	20160921
AU-2017301488-A1	Pantetheine derivatives for the treatment of neurologic disorders	20160725

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	161
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.074227566
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	154.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8