4-Pyrazolecarboxamide - CAS 437701-80-9
Catalog: |
BB025455 |
Product Name: |
4-Pyrazolecarboxamide |
CAS: |
437701-80-9 |
Synonyms: |
1H-pyrazole-4-carboxamide; 1H-pyrazole-4-carboxamide |
IUPAC Name: | 1H-pyrazole-4-carboxamide |
Description: | 4-Pyrazolecarboxamide (CAS# 437701-80-9) is a useful research chemical. |
Molecular Weight: | 111.10 |
Molecular Formula: | C4H5N3O |
Canonical SMILES: | C1=C(C=NN1)C(=O)N |
InChI: | InChI=1S/C4H5N3O/c5-4(8)3-1-6-7-2-3/h1-2H,(H2,5,8)(H,6,7) |
InChI Key: | ZVXKYWHJBYIYNI-UHFFFAOYSA-N |
MDL: | MFCD10001535 |
LogP: | 0.20890 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2021152083-A | Pest control method | 20210702 |
JP-2021152084-A | Pest control method | 20210702 |
JP-2021152085-A | Pest control method | 20210702 |
JP-2021121587-A | Control method of phytopathogenic microorganisms using crystals of pyrazole carboxamide compound | 20210322 |
JP-2021066733-A | Pest control method using methyltetraprowl | 20201225 |
Complexity: | 104 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 111.043261792 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 111.043261792 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 71.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.9 |
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