3-(1-Methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carboxylic acid - CAS 909858-38-4
Catalog: |
BB040014 |
Product Name: |
3-(1-Methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carboxylic acid |
CAS: |
909858-38-4 |
Synonyms: |
3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid |
IUPAC Name: | 3-(1-methylpyrrol-2-yl)-1H-pyrazole-5-carboxylic acid |
Description: | 3-(1-Methyl-1H-pyrrol-2-yl)-1H-pyrazole-5-carboxylic acid (CAS# 909858-38-4) is a useful research chemical. |
Molecular Weight: | 191.19 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | CN1C=CC=C1C2=NNC(=C2)C(=O)O |
InChI: | InChI=1S/C9H9N3O2/c1-12-4-2-3-8(12)6-5-7(9(13)14)11-10-6/h2-5H,1H3,(H,10,11)(H,13,14) |
InChI Key: | ABCWEWNWAYDITM-UHFFFAOYSA-N |
Boiling Point: | 499 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.42 g/cm3 |
MDL: | MFCD06010512 |
LogP: | 1.11340 |
Publication Number | Title | Priority Date |
EP-3157938-A1 | Hetero functional binding systems | 20140617 |
US-2017115285-A1 | Hetero functional binding systems | 20140617 |
WO-2015192183-A1 | Hetero functional binding systems | 20140617 |
US-10768176-B2 | Hetero functional binding systems | 20140617 |
WO-2015069011-A1 | Novel compound, method for preparation thereof, and antifungal composition comprising the same | 20131105 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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