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Dimethyl 1-(3-fluoropropyl)-1H-pyrazole-3,5-dicarboxylate

Dimethyl 1-(3-fluoropropyl)-1H-pyrazole-3,5-dicarboxylate - CAS 1975119-32-4

Catalog:	BB051535
Product Name:	Dimethyl 1-(3-fluoropropyl)-1H-pyrazole-3,5-dicarboxylate
CAS:	1975119-32-4
Synonyms:	1H-Pyrazole-3,5-dicarboxylic acid, 1-(3-fluoropropyl)-, 3,5-dimethyl ester

Technical Data

Computed Properties

IUPAC Name:	dimethyl 1-(3-fluoropropyl)pyrazole-3,5-dicarboxylate
Molecular Weight:	244.22
Molecular Formula:	C10H13FN2O4
Canonical SMILES:	COC(=O)C1=CC(=NN1CCCF)C(=O)OC
InChI:	InChI=1S/C10H13FN2O4/c1-16-9(14)7-6-8(10(15)17-2)13(12-7)5-3-4-11/h6H,3-5H2,1-2H3
InChI Key:	HBKMQFWTVYQMQL-UHFFFAOYSA-N
Boiling Point:	349.8±32.0°C (Predicted)
Purity:	≥95%
Density:	1.28±0.1 g/cm3 (Predicted)

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Fluorinated Building Blocks

[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1597-32-6]
2-Amino-6-fluoropyridine

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1225940-17-9]
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1082066-00-9]
1-Cyclopropyl-1H-pyrazole-4-carbaldehyde
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Complexity:	288
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.08593506
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.08593506
Rotatable Bond Count:	7
Topological Polar Surface Area:	70.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2