3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid - CAS 78208-73-8
Catalog: |
BB036129 |
Product Name: |
3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid |
CAS: |
78208-73-8 |
Synonyms: |
2-methyl-5-propan-2-ylpyrazole-3-carboxylic acid |
IUPAC Name: | 2-methyl-5-propan-2-ylpyrazole-3-carboxylic acid |
Description: | 3-Isopropyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS# 78208-73-8) is a useful research chemical. |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CC(C)C1=NN(C(=C1)C(=O)O)C |
InChI: | InChI=1S/C8H12N2O2/c1-5(2)6-4-7(8(11)12)10(3)9-6/h4-5H,1-3H3,(H,11,12) |
InChI Key: | FJPHBZNCWOYBDN-UHFFFAOYSA-N |
Boiling Point: | 310.1 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.19 g/cm3 |
MDL: | MFCD07186363 |
LogP: | 1.24170 |
Publication Number | Title | Priority Date |
WO-2021195066-A2 | Kcnt1 inhibitors and methods of use | 20200323 |
WO-2020227101-A1 | Kcnt1 inhibitors and methods of use | 20190503 |
US-10344026-B2 | Compositions and methods of targeting mutant K-ras | 20170118 |
US-2018201610-A1 | Compositions and methods of targeting mutant k-ras | 20170118 |
CN-106608873-A | Pyrazole amide compound, and preparation method and application thereof | 20151026 |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.08987763 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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