3-Isobutylpyrazole - CAS 98816-40-1
Catalog: |
BB042220 |
Product Name: |
3-Isobutylpyrazole |
CAS: |
98816-40-1 |
Synonyms: |
5-(2-methylpropyl)-1H-pyrazole; 5-(2-methylpropyl)-1H-pyrazole |
IUPAC Name: | 5-(2-methylpropyl)-1H-pyrazole |
Description: | 3-Isobutylpyrazole (CAS# 98816-40-1) is a useful research chemical. |
Molecular Weight: | 124.18 |
Molecular Formula: | C7H12N2 |
Canonical SMILES: | CC(C)CC1=CC=NN1 |
InChI: | InChI=1S/C7H12N2/c1-6(2)5-7-3-4-8-9-7/h3-4,6H,5H2,1-2H3,(H,8,9) |
InChI Key: | KLQAJWMVWOATSI-UHFFFAOYSA-N |
LogP: | 1.60820 |
Publication Number | Title | Priority Date |
US-2021128589-A1 | Phosphonium ion channel blockers and methods for use | 20191106 |
US-2021130380-A1 | Phosphonium ion channel blockers and methods for use | 20191106 |
US-2020290991-A1 | Ester substituted ion channel blockers and methods for use | 20190311 |
US-10927096-B2 | Ester substituted ion channel blockers and methods for use | 20190311 |
US-2021070734-A1 | Ester substituted ion channel blockers and methods for use | 20190311 |
Complexity: | 81 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 124.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 124.100048391 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS