5-(Methoxycarbonyl)-1-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxylic acid - CAS 1946823-05-7
Catalog: |
BB051040 |
Product Name: |
5-(Methoxycarbonyl)-1-(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxylic acid |
CAS: |
1946823-05-7 |
Synonyms: |
1H-Pyrazole-3,5-dicarboxylic acid, 1-(3,3,3-trifluoropropyl)-, 5-methyl ester |
IUPAC Name: | 5-methoxycarbonyl-1-(3,3,3-trifluoropropyl)pyrazole-3-carboxylic acid |
Molecular Weight: | 266.17 |
Molecular Formula: | C9H9F3N2O4 |
Canonical SMILES: | COC(=O)C1=CC(=NN1CCC(F)(F)F)C(=O)O |
InChI: | InChI=1S/C9H9F3N2O4/c1-18-8(17)6-4-5(7(15)16)13-14(6)3-2-9(10,11)12/h4H,2-3H2,1H3,(H,15,16) |
InChI Key: | XQDLIARZXIFKFA-UHFFFAOYSA-N |
Boiling Point: | 378.1±42.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.51±0.1 g/cm3 (Predicted) |
Complexity: | 334 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.05144126 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.05144126 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
-
Catalog: BB014397
(1,3,5-Trimethyl-1H-pyrazol-4-yl)methanol
Detail
-
Catalog: BB053510
(1,3-Dimethyl-1H-pyrazol-4-yl)methylamine hydrochloride
Detail
-
Catalog: BB051699
(1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl)methanamine hydrochloride
Detail
-
Catalog: BB045250
(1,3-Diphenyl-1H-pyrazol-4-yl)methylamine
Detail
-
Catalog: BB045656
([5-(1-Ethyl-1H-pyrazol-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl]thio)acetic acid
Detail
-
Catalog: BB046900
(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine
Detail
-
Catalog: BB050668
(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl)methanol
Detail
-
Catalog: BB045654
((4-Ethyl-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl)thio)acetic acid
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Fluorinated Building Blocks
-
[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
-
[1866059-82-6]C4H6F4O2S
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
-
[2454490-85-6]C16H17BF2O2
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
-
[2091593-59-6]C9H10F3NO
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
-
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
-
[861225-50-5]C11H9ClF2O3
4-Chloro-4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS