1,5-Dimethylpyrazole-3-carboxamide - CAS 54384-74-6
Catalog: |
BB028633 |
Product Name: |
1,5-Dimethylpyrazole-3-carboxamide |
CAS: |
54384-74-6 |
Synonyms: |
1,5-dimethyl-3-pyrazolecarboxamide; 1,5-dimethylpyrazole-3-carboxamide |
IUPAC Name: | 1,5-dimethylpyrazole-3-carboxamide |
Description: | 1,5-Dimethylpyrazole-3-carboxamide (CAS# 54384-74-6) is a useful research chemical. |
Molecular Weight: | 139.16 |
Molecular Formula: | C6H9N3O |
Canonical SMILES: | CC1=CC(=NN1C)C(=O)N |
InChI: | InChI=1S/C6H9N3O/c1-4-3-5(6(7)10)8-9(4)2/h3H,1-2H3,(H2,7,10) |
InChI Key: | FMUYZLYRPXUTAK-UHFFFAOYSA-N |
Appearance: | Solid |
MDL: | MFCD05664820 |
LogP: | 0.52770 |
Publication Number | Title | Priority Date |
WO-2018141857-A1 | Aryl hydrocarbon receptor (ahr) modulator compounds | 20170201 |
EP-3577112-B1 | Aryl hydrocarbon receptor (ahr) modulator compounds | 20170201 |
EP-3490986-A1 | Piperidine cxcr7 receptor modulators | 20160728 |
US-2019169180-A1 | Piperdine cxcr7 receptor modulators | 20160728 |
WO-2018019929-A1 | Piperidine cxcr7 receptor modulators | 20160728 |
Complexity: | 148 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.074561919 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.2 |
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