3-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid - CAS 705269-96-1
Catalog: |
BB034170 |
Product Name: |
3-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid |
CAS: |
705269-96-1 |
Synonyms: |
3-methyl-1-propylpyrazole-4-carboxylic acid |
IUPAC Name: | 3-methyl-1-propylpyrazole-4-carboxylic acid |
Description: | 3-Methyl-1-propyl-1H-pyrazole-4-carboxylic acid (CAS# 705269-96-1) is a useful research chemical. |
Molecular Weight: | 168.19 |
Molecular Formula: | C8H12N2O2 |
Canonical SMILES: | CCCN1C=C(C(=N1)C)C(=O)O |
InChI: | InChI=1S/C8H12N2O2/c1-3-4-10-5-7(8(11)12)6(2)9-10/h5H,3-4H2,1-2H3,(H,11,12) |
InChI Key: | VXCAGHJDPUBMKC-UHFFFAOYSA-N |
Boiling Point: | 316.6 °C at 760 mmHg |
Density: | 1.19 g/cm3 |
MDL: | MFCD03194467 |
LogP: | 1.29970 |
Publication Number | Title | Priority Date |
TW-202035409-A | Monoacylglycerol lipase modulators | 20180928 |
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 |
Complexity: | 172 |
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: | 3 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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