2-(1-Isopropyl-3,5-dimethyl-4-pyrazolyl)acetic Acid - CAS 1007502-38-6
Catalog: |
BB000319 |
Product Name: |
2-(1-Isopropyl-3,5-dimethyl-4-pyrazolyl)acetic Acid |
CAS: |
1007502-38-6 |
Synonyms: |
2-(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)acetic acid; 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid |
IUPAC Name: | 2-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)acetic acid |
Description: | 2-(1-Isopropyl-3,5-dimethyl-4-pyrazolyl)acetic Acid (CAS# 1007502-38-6) is a useful research chemical. |
Molecular Weight: | 196.25 |
Molecular Formula: | C10H16N2O2 |
Canonical SMILES: | CC1=C(C(=NN1C(C)C)C)CC(=O)O |
InChI: | InChI=1S/C10H16N2O2/c1-6(2)12-8(4)9(5-10(13)14)7(3)11-12/h6H,5H2,1-4H3,(H,13,14) |
InChI Key: | ZERXEZOBCJYCJF-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
TW-201940462-A | Compound | 20180126 |
CN-111683926-A | Compound (I) | 20180126 |
US-2020361871-A1 | Compounds | 20180126 |
US-2020383988-A1 | Compounds | 20180126 |
US-4146721-A | Pyrazol-4-acetic acid compounds | 19690912 |
Complexity: | 218 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.121177757 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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