3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid - CAS 769132-77-6
Catalog: |
BB035751 |
Product Name: |
3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid |
CAS: |
769132-77-6 |
Synonyms: |
2-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid |
IUPAC Name: | 2-methyl-5-(2-methylpropyl)pyrazole-3-carboxylic acid |
Description: | 3-Isobutyl-1-methyl-1H-pyrazole-5-carboxylic acid (CAS# 769132-77-6) is a useful research chemical. |
Molecular Weight: | 182.22 |
Molecular Formula: | C9H14N2O2 |
Canonical SMILES: | CC(C)CC1=NN(C(=C1)C(=O)O)C |
InChI: | InChI=1S/C9H14N2O2/c1-6(2)4-7-5-8(9(12)13)11(3)10-7/h5-6H,4H2,1-3H3,(H,12,13) |
InChI Key: | FNZPEHCXMGHUNY-UHFFFAOYSA-N |
Boiling Point: | 333.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.16 g/cm3 |
MDL: | MFCD05670720 |
LogP: | 1.31680 |
Publication Number | Title | Priority Date |
WO-2020033413-A2 | Modulators of ras gtpase | 20180807 |
US-2021261532-A1 | Modulators of RAS GTPase | 20180807 |
US-2012232052-A1 | Aryl carboxamide derivatives as ttx-s blockers | 20091116 |
US-9051296-B2 | Aryl carboxamide derivatives as TTX-S blockers | 20091116 |
EP-2300437-B1 | Benzpyrazol derivatives as inhibitors of pi3 kinases | 20080605 |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.105527694 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.105527694 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
-
Catalog: BB047223
(1,3-Dimethyl-1H-pyrazol-5-yl)methanamine
Detail
-
Catalog: BB046900
(1,3-Dimethyl-1H-pyrazol-4-yl)methanamine
Detail
-
Catalog: BB051514
(1,4-Dimethyl-3-nitro-1H-pyrazol-5-yl)methanol
Detail
-
Catalog: BB052887
(1,5-Diethylpyrazol-4-yl)methylamine
Detail
-
Catalog: BB053081
({1-[(1,5-Dimethyl-1H-Pyrazol-4-Yl)Methyl]Piperidin-3-Yl}Methyl)Amine Dihydrochloride
Detail
-
Catalog: BB014397
(1,3,5-Trimethyl-1H-pyrazol-4-yl)methanol
Detail
-
Catalog: BB050668
(1-(2,2,2-Trifluoroethyl)-1H-pyrazol-4-yl)methanol
Detail
-
Catalog: BB051699
(1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl)methanamine hydrochloride
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Pyrazoles
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS